SCHEMBL104831

SCHEMBL104831

CC(C)NC1CCC(F)(F)CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.42
IDH1 O75874 8/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MDM2 Q00987 1/20 0.31
IDH2 P48735 1/20 0.30

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
SCHEMBL22031954 0.86 EPHX2 (0.36) EPHX2IDH1DRD2DRD3IDH2
SCHEMBL22016513 0.86 EPHX2 (0.36) EPHX2IDH1DRD2DRD3IDH2
SCHEMBL22017351 0.86 EPHX2 (0.36) EPHX2IDH1DRD2DRD3IDH2
SCHEMBL25517917 0.86 EPHX2 (0.33) EPHX2DRD2DRD3GAAL3MBTL1
SCHEMBL24979811 0.81 EPHX2 (0.40) EPHX2IDH1
SCHEMBL17403488 0.80 EPHX2 (0.39) EPHX2GAAL3MBTL1MDM2
SCHEMBL25517982 0.78 GAA (0.31) GAAL3MBTL1MDM2
SCHEMBL2600363 0.78 MDM2 (0.41) DRD2DRD3GAAL3MBTL1MDM2
SCHEMBL16171239 0.78 MDM2 (0.41) DRD2DRD3GAAL3MBTL1MDM2
SCHEMBL18458286 0.78 MDM2 (0.41) DRD2DRD3GAAL3MBTL1MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3873903-B1 SUBSTITUTED 6-AZABENZIMIDAZOLE COMPOUNDS AS HPK1 INHIBITORS GILEAD SCIENCES INC (US) 2024-01-24 EP disclosed
EP-4268824-A1 IMIDAZO[2,1-F][1,2,4]TRIAZINE DERIVATIVES USEFUL AS A MEDICAMENT Manros Therapeutics (FR) 2023-11-01 EP disclosed
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 US disclosed
US-20230167133-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AND USES THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2023-06-01 US disclosed
US-20230167104-A1 NEW IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 PERHA PHARMACEUTICALS (FR) 2023-06-01 US disclosed
US-20230167104-A1 NEW IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 PERHA PHARMACEUTICALS (FR) 2023-06-01 US disclosed
WO-2023064361-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AS DYRK1A INHIBITORS BIOSPLICE THERAPEUTICS, INC. (US) 2023-04-20 WO disclosed
WO-2023003610-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2023-01-26 WO disclosed
US-20220411383-A1 AMINOPYRAZINE DERIVATIVES AS PI3K-y INHIBITORS INCYTE CORPORATION 2022-12-29 US disclosed
US-20220213091-A1 SUBSTITUTED 6-AZABENZIMIDAZOLE COMPOUNDS GILEAD SCIENCES, INC. 2022-07-07 US disclosed
US-9790221-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-10-17 US disclosed
US-20160145252-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-05-26 US disclosed
US-9233979-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-12 US disclosed
US-20150266895-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-24 US disclosed
US-8569281-B2 Compounds and their administration for treating a neurodegenerative disease as well as a method for identifying a compound capable of inhibiting a kinase, such as LRRK MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2013-10-29 US disclosed
US-20130267513-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2013-10-10 US disclosed
US-20120295883-A1 COMPOUNDS GENENTECH, INC. (US) 2012-11-22 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 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 (11 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 EPHX2 4454/4885IDH1 1744/4885DRD2 3469/4885
US-20120295883-A1 COMPOUNDS ABCC5, PRNP, PC EPHX2 1842/4885IDH1 89/4885DRD2 1591/4885
US-20160145252-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 EPHX2 2274/4885IDH1 1271/4885DRD2 4775/4885
US-20150266895-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK10, MAP3K1 EPHX2 2954/4885IDH1 1179/4885DRD2 4744/4885
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 EPHX2 1834/4885IDH1 805/4885DRD2 4876/4885
US-20230167133-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AND USES THEREOF DYRK1A, DYRK1B, DYRK2 EPHX2 3475/4885IDH1 1778/4885DRD2 2267/4885
US-20220213091-A1 SUBSTITUTED 6-AZABENZIMIDAZOLE COMPOUNDS CDK6, HIPK1, DCK EPHX2 4247/4885IDH1 683/4885DRD2 4566/4885
US-20220411383-A1 AMINOPYRAZINE DERIVATIVES AS PI3K-y INHIBITORS PIK3R5, PIK3CD, PIK3CG EPHX2 4173/4885IDH1 661/4885DRD2 4388/4885
US-20130267513-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 LRRK2, PARK7, GRK3 EPHX2 4188/4885IDH1 886/4885DRD2 197/4885
US-20230167104-A1 NEW IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 CLK1, CLK2, CLK3 EPHX2 4541/4885IDH1 2254/4885DRD2 1235/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 EPHX2 1983/4885IDH1 1711/4885DRD2 213/4885

“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.