SCHEMBL2610398

SCHEMBL2610398

COCc1ccnc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.47
UHRF1 Q96T88 1/20 0.46
DYRK1A Q13627 2/20 0.46
MAOA P21397 1/20 0.46
KCNQ2 O43526 1/20 0.41
LOX P28300 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
ADAMTS4 O75173 1/20 0.40
MMP13 P45452 1/20 0.40
NOS3 P29474 3/20 0.39
NOS1 P29475 3/20 0.39
NOS2 P35228 3/20 0.39
RXRA P19793 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
MMP12 P39900 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL30340594 1.00 GRM5 (0.47) GRM5UHRF1DYRK1AMAOAKCNQ2
SCHEMBL16710549 0.85 MAOB (0.51) MAOA
SCHEMBL28319641 0.85 UHRF1 (0.48) GRM5UHRF1DYRK1AMAOAKCNQ2
Hydrochloric Acid SCHEMBL28319637 0.83 GRM5 (0.47) GRM5UHRF1DYRK1AMAOAKCNQ2
SCHEMBL23481144 0.82 GRM5 (0.46) GRM5UHRF1DYRK1AMAOAKCNQ2
SCHEMBL28056162 0.81 MAOA (0.44) GRM5DYRK1AMAOALOXLOXL2
SCHEMBL2118728 0.79 NOS3 (0.64) GRM5DYRK1AMAOALOXLOXL2
SCHEMBL29883563 0.79 NOS3 (0.64) GRM5DYRK1AMAOALOXLOXL2
SCHEMBL4355540 0.78 UHRF1 (0.54) GRM5UHRF1DYRK1AKCNQ2LOX
SCHEMBL18415092 0.78 NOS3 (0.47) GRM5DYRK1AMAOALOXLOXL2

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111448189-B Biaryl derivative, preparation method and pharmaceutical application thereof 上海和誉生物医药科技有限公司 2024-09-10 CN disclosed
US-11746100-B2 Cycloalkyl pyrimidines as ferroportin inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2023-09-05 US disclosed
US-20230226074-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-07-20 US disclosed
CN-111886219-B Immunosuppressant, preparation method and pharmaceutical application thereof 上海和誉生物医药科技有限公司 2023-04-25 CN disclosed
EP-3495358-B1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2022-04-27 EP disclosed
WO-2021262587-A1 QUATERNARY INDAZOLE GLUCOCORTICOID RECEPTOR ANTAGONISTS CORCEPT THERAPEUTICS INCORPORATED (US) 2021-12-30 WO disclosed
US-10000480-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses BRISTOL-MYERS SQUIBB COMPANY (US) 2018-06-19 US disclosed
US-20170022192-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY 2017-01-26 US disclosed
US-20170022192-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY 2017-01-26 US disclosed
US-9505748-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFNα responses BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-29 US disclosed
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2013-01-24 US disclosed
EP-2500345-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-09-19 EP disclosed
US-8268848-B2 Cyclopropane compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-18 US disclosed
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-09-06 US disclosed
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-09-06 US disclosed
US-8193227-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2012-06-05 US disclosed
US-20120095031-A1 CYCLOPROPANE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 US disclosed
WO-2011059021-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE 大日本住友製薬株式会社 (JP) 2011-05-19 WO disclosed
US-20110003827-A1 HIV protease inhibiting compounds ABBVIE INC. 2011-01-06 US disclosed
EP-1709037-B1 HIV PROTEASE INHIBITING SULFONAMIDES ABBOTT LAB (US) 2009-12-23 EP 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 (8 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-10000480-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses IFNG, IFNAR1, TYK2 GRM5 4110/4885UHRF1 2966/4885DYRK1A 181/4885
US-20110003827-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP GRM5 3144/4885UHRF1 3070/4885DYRK1A 4858/4885
US-20230226074-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS SLC40A1, HAMP, SLC19A1 GRM5 4206/4885UHRF1 3004/4885DYRK1A 4494/4885
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS SERPINB1, HPN, DNPEP GRM5 3144/4885UHRF1 3070/4885DYRK1A 4858/4885
US-11746100-B2 Cycloalkyl pyrimidines as ferroportin inhibitors HAMP, SLC40A1, FANCI GRM5 4281/4885UHRF1 4316/4885DYRK1A 4638/4885
US-20120095031-A1 CYCLOPROPANE COMPOUND HCRTR1, HCRTR2, CNR1 GRM5 471/4885UHRF1 3348/4885DYRK1A 788/4885
US-20170022192-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES IFNG, IFNAR1, TYK2 GRM5 4110/4885UHRF1 2966/4885DYRK1A 181/4885
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE HDAC10, HDAC11, HDAC1 GRM5 1632/4885UHRF1 2963/4885DYRK1A 3927/4885

“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.