SCHEMBL3703784

SCHEMBL3703784

[CH]1NCCCC12CCNCC2

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NEK2 P51955 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL381073 0.87 NEK2 (0.34) NEK2
SCHEMBL2504563 0.86 — —
SCHEMBL942688 0.84 — —
SCHEMBL4574477 0.81 — —
SCHEMBL482290 0.79 — —
SCHEMBL942937 0.78 HTR2A (0.32) —
SCHEMBL1555745 0.76 HTR2A (0.32) —
SCHEMBL102823 0.76 — —
SCHEMBL23612086 0.72 — —
SCHEMBL337666 0.72 — —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 66 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024151346-A1 HETEROARYL FLUOROALKENES AS DGK INHIBITORS INCYTE CORPORATION (US) 2024-07-18 — — WO claimed
US-20240217989-A1 Heteroaryl Fluoroalkenes As DGK Inhibitors INCYTE CORPORATION 2024-07-04 — — US claimed
WO-2024108100-A1 HETEROARYL FLUOROALKENES AS DGK INHIBITORS INCYTE CORPORATION (US) 2024-05-23 — — WO claimed
EP-3468953-B1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE IP DEV LTD (GB) 2024-05-22 — — EP claimed
WO-2023220741-A1 ALPHA 4 BETA 7 INTEGRIN MODULATORS AND USES THEREOF DICE MOLECULES SV, INC. (US) 2023-11-16 — — WO claimed
US-20230331725-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2023-10-19 — — US claimed
US-20230219959-A1 HYDRO-1H-PYRROLO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-07-13 — — US claimed
EP-4188920-A1 PIPERIDIN-1-YL-N-PYRYDINE-3-YL-2-OXOACETAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF MTAP-DEFICIENT AND/OR MTA-ACCUMULATING CANCERS Tango Therapeutics, Inc. (US) 2023-06-07 — — EP claimed
WO-2022026892-A1 PIPERIDIN-1- YL-N-PYRYDI NE-3-YL-2-OXOACET AM IDE DERIVATIVES USEFUL FOR THE TREATMENT OF MTAP-DEFICIENT AND/OR MT A-ACCUMULATING CANCERS TANGO THERAPEUTICS, INC. (US) 2022-02-03 — — WO claimed
WO-2021099284-A1 HYDRO-1H-PYRROLO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2021-05-27 — — WO claimed
EP-3773552-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC Therapeutics, Inc. (US) 2021-02-17 — — EP claimed
US-20210024525-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2021-01-28 — — US claimed
EP-3652180-A1 SUBSTITUTED BENZOXAZOLE AND BENZOFURAN COMPOUNDS AS PDE7 INHIBITORS Dart NeuroScience LLC (US) 2020-05-20 — — EP claimed
WO-2019191229-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. (US) 2019-10-03 — — WO claimed
US-20190194166-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-06-27 — — US claimed
EP-3468953-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-04-17 — — EP claimed
WO-2019014305-A1 SUBSTITUTED BENZOXAZOLE AND BENZOFURAN COMPOUNDS AS PDE7 INHIBITORS DART NEUROSCIENCE, LLC (US) 2019-01-17 — — WO claimed
WO-2017216727-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-12-21 — — WO claimed
WO-2017216726-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-12-21 — — WO claimed
WO-2024151346-A1 HETEROARYL FLUOROALKENES AS DGK INHIBITORS INCYTE CORPORATION (US) 2024-07-18 — — WO disclosed
US-20240238425-A1 HSD17B13 Inhibitors and/or Degraders PFIZER INC. (US) 2024-07-18 — — US disclosed
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 — — US disclosed
US-20240217989-A1 Heteroaryl Fluoroalkenes As DGK Inhibitors INCYTE CORPORATION 2024-07-04 — — US disclosed
US-20240199643-A1 SUBSTITUTED BENZOXAZOLE AND BENZOFURAN COMPOUNDS AS PDE7 INHIBITORS DART NEUROSCIENCE LLC (US) 2024-06-20 — — US disclosed
WO-2024127297-A1 3-FLUORO-4-HYDROXYBENZMIDE-CONTAINING INHIBITORS AND/OR DEGRADERS AND USES THEREOF PFIZER INC. (US) 2024-06-20 — — WO disclosed
US-11999727-B2 Compounds and methods of use TANGO THERAPEUTICS, INC. (US) 2024-06-04 — — US disclosed
WO-2024108100-A1 HETEROARYL FLUOROALKENES AS DGK INHIBITORS INCYTE CORPORATION (US) 2024-05-23 — — WO disclosed
EP-3468953-B1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE IP DEV LTD (GB) 2024-05-22 — — EP disclosed
EP-4069693-B1 HYDROPYRIDO[1,2-ALPHA]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES HOFFMANN LA ROCHE (CH) 2024-03-20 — — EP disclosed
WO-2023220741-A1 ALPHA 4 BETA 7 INTEGRIN MODULATORS AND USES THEREOF DICE MOLECULES SV, INC. (US) 2023-11-16 — — WO disclosed
US-20230331725-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2023-10-19 — — US disclosed
US-11780839-B2 Compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2023-10-10 — — US disclosed
EP-3969446-B1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2023-09-27 — — EP disclosed
EP-4219466-A1 COMPUNDS FOR TREATING HUNTINGTON'S DISEASE PTC Therapeutics, Inc. (US) 2023-08-02 — — EP disclosed
US-20230219959-A1 HYDRO-1H-PYRROLO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-07-13 — — US disclosed
US-11685745-B2 Substituted benzoxazole and benzofuran compounds as PDE7 inhibitors DART NEUROSCIENCE, LLC (US) 2023-06-27 — — US disclosed
EP-4188920-A1 PIPERIDIN-1-YL-N-PYRYDINE-3-YL-2-OXOACETAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF MTAP-DEFICIENT AND/OR MTA-ACCUMULATING CANCERS Tango Therapeutics, Inc. (US) 2023-06-07 — — EP disclosed
US-20230113778-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2023-04-13 — — US disclosed
US-20230022297-A1 HYDROPYRIDO[1,2-a]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-01-26 — — US disclosed
US-20220267351-A1 SUBSTITUTED BENZOXAZOLE AND BENZOFURAN COMPOUNDS AS PDE7 INHIBITORS DART NEUROSCIENCE, LLC 2022-08-25 — — US disclosed
US-20220204478-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2022-06-30 — — US disclosed
US-20220127256-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2022-04-28 — — US disclosed
EP-3969446-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC Therapeutics, Inc. (US) 2022-03-23 — — EP disclosed
WO-2022026892-A1 PIPERIDIN-1- YL-N-PYRYDI NE-3-YL-2-OXOACET AM IDE DERIVATIVES USEFUL FOR THE TREATMENT OF MTAP-DEFICIENT AND/OR MT A-ACCUMULATING CANCERS TANGO THERAPEUTICS, INC. (US) 2022-02-03 — — WO disclosed
WO-2021110614-A1 HYDROPYRIDO[1,2-α]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2021-06-10 — — WO disclosed
WO-2021099284-A1 HYDRO-1H-PYRROLO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2021-05-27 — — WO disclosed
US-10975056-B2 Substituted pyridines as inhibitors of DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-04-13 — — US disclosed
EP-3774744-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC Therapeutics, Inc. (US) 2021-02-17 — — EP disclosed
EP-3773552-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC Therapeutics, Inc. (US) 2021-02-17 — — EP disclosed
US-20210024525-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2021-01-28 — — US disclosed
US-20210009590-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2021-01-14 — — US disclosed
WO-2020231977-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. (US) 2020-11-19 — — WO disclosed
EP-3652180-A1 SUBSTITUTED BENZOXAZOLE AND BENZOFURAN COMPOUNDS AS PDE7 INHIBITORS Dart NeuroScience LLC (US) 2020-05-20 — — EP disclosed
WO-2019191092-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. (US) 2019-10-03 — — WO disclosed
WO-2019191229-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. (US) 2019-10-03 — — WO disclosed
US-20190194166-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-06-27 — — US disclosed
EP-3468953-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-04-17 — — EP disclosed
WO-2019014305-A1 SUBSTITUTED BENZOXAZOLE AND BENZOFURAN COMPOUNDS AS PDE7 INHIBITORS DART NEUROSCIENCE, LLC (US) 2019-01-17 — — WO disclosed
US-10093624-B2 NAMPT and ROCK inhibitors ABBVIE INC. (US) 2018-10-09 — — US disclosed
WO-2017216726-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-12-21 — — WO disclosed
WO-2017216727-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-12-21 — — WO disclosed
US-9302989-B2 NAMPT and rock inhibitors ABBVIE INC. (US) 2016-04-05 — — US disclosed
US-20160031880-A1 Nampt and Rock Inhibitors ABBVIE INC. (US) 2016-02-04 — — US disclosed
EP-2640698-A1 NAMPT AND ROCK INHIBITORS AbbVie Inc. (US) 2013-09-25 — — EP disclosed
WO-2012067965-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 — — WO disclosed
US-20120122842-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 — — US disclosed
US-20120122842-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (21 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210009590-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, FH NEK2 942/4885
US-20210024525-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, HDAC6 NEK2 944/4885
US-10093624-B2 NAMPT and ROCK inhibitors NAMPT, NNMT, NADK NEK2 498/4885
US-20240199643-A1 SUBSTITUTED BENZOXAZOLE AND BENZOFURAN COMPOUNDS AS PDE7 INHIBITORS PDE7A, PDE7B, PDE8B NEK2 802/4885
US-11999727-B2 Compounds and methods of use F12, C1R, ABCG2 NEK2 2073/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 NEK2 496/4885
US-20240238425-A1 HSD17B13 Inhibitors and/or Degraders HSD17B13, HSD17B3, HSD17B1 NEK2 3698/4885
US-20230022297-A1 HYDROPYRIDO[1,2-a]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE TLR7, TLR9, TLR5 NEK2 2480/4885
US-11685745-B2 Substituted benzoxazole and benzofuran compounds as PDE7 inhibitors PDE7A, PDE7B, PDE8B NEK2 802/4885
US-20220204478-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, FH NEK2 1046/4885
US-10975056-B2 Substituted pyridines as inhibitors of DNMT1 DNMT1, DNMT3A, DNMT3B NEK2 2879/4885
US-20190194166-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 DNMT1, DNMT3A, DNMT3B NEK2 2879/4885
US-20230331725-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, HDAC6 NEK2 944/4885
US-20230219959-A1 HYDRO-1H-PYRROLO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE AQP1, HRH2, HRH1 NEK2 2244/4885
US-20230113778-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 NEK2 2073/4885
US-20220127256-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 NEK2 2073/4885
US-11780839-B2 Compounds for treating Huntington's disease HTT, HYPK, HDAC6 NEK2 944/4885
US-20240228478-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 NEK2 2073/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 NEK2 496/4885
US-20220267351-A1 SUBSTITUTED BENZOXAZOLE AND BENZOFURAN COMPOUNDS AS PDE7 INHIBITORS PDE7A, PDE7B, PDE8B NEK2 802/4885
US-20240217989-A1 Heteroaryl Fluoroalkenes As DGK Inhibitors DGKA, DGKG, DGKK NEK2 102/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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