SCHEMBL464630

SCHEMBL464630

Fc1ccc(-c2ccncc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.65
MAPT P10636 1/20 0.65
MAPK14 Q16539 14/20 0.64
MAPK10 P53779 1/20 0.59
GCGR P47871 1/20 0.57
KIF11 P52732 1/20 0.56
KDM4E B2RXH2 1/20 0.55
AR P10275 1/20 0.55
MAPK13 O15264 3/20 0.53
MAPK12 P53778 3/20 0.53
MAPK11 Q15759 3/20 0.53
RAF1 P04049 1/20 0.53
MAPK9 P45984 1/20 0.53
NOTUM Q6P988 1/20 0.52

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
SCHEMBL6829472 1.00 LMNA (0.65) LMNAMAPTMAPK14MAPK10GCGR
SCHEMBL26548404 0.86 MAPK14 (0.53) LMNAMAPTMAPK14MAPK10GCGR
SCHEMBL26547982 0.86 MAPK14 (0.53) LMNAMAPTMAPK14MAPK10GCGR
SCHEMBL26548589 0.84 MAPK14 (0.52) LMNAMAPTMAPK14MAPK10GCGR
SCHEMBL10000032 0.84 MAPT (0.92) LMNAMAPTGCGRKIF11KDM4E
SCHEMBL135626 0.84 MAPT (0.92) LMNAMAPTGCGRKIF11KDM4E
SCHEMBL6337863 0.83 MAPK14 (0.60) MAPK14MAPK10GCGRMAPK13MAPK12
SCHEMBL9208657 0.82 LTA4H (0.52) LMNAMAPTMAPK14MAPK10GCGR
SCHEMBL18770326 0.81 CYP17A1 (0.68) MAPK14GCGR
SCHEMBL28802099 0.81 KDM4E (0.50) MAPK14MAPK10GCGRKDM4EAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105358550-B Histone deacetylase inhibitors 卡鲁斯治疗有限公司 2018-04-06 CN claimed
CN-106450453-A Lithium ion battery electrolyte and lithium ion battery containing same 广州天赐高新材料股份有限公司 2017-02-22 CN claimed
CN-110225912-B GSK-3 inhibitors 百时美施贵宝公司 2022-10-21 CN disclosed
US-20220133740-A1 VALPROIC ACID COMPOUNDS AND WNT AGONISTS FOR TREATING EAR DISORDERS Frequency Therapeutics, Inc. (US) 2022-05-05 US disclosed
CN-110225912-A GSK-3 inhibitor 百时美施贵宝公司 2019-09-10 CN disclosed
CN-108348523-A Compositions comprising PI3K inhibitors and HDAC inhibitors 卡鲁斯治疗有限公司 2018-07-31 CN disclosed
CN-105358550-B Histone deacetylase inhibitors 卡鲁斯治疗有限公司 2018-04-06 CN disclosed
CN-104203928-B Triazineon compounds and T-shaped calcium channel blocker 日产化学工业株式会社 2017-06-06 CN disclosed
CN-106450453-A Lithium ion battery electrolyte and lithium ion battery containing same 广州天赐高新材料股份有限公司 2017-02-22 CN disclosed
EP-2429993-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INT (DE) 2015-01-21 EP disclosed
EP-2393809-B1 DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-04-30 EP disclosed
US-6953792-B2 Cyclohexyl derivatives and their use as therapeutic agents MERCK SHARP & DOHME LIMITED (GB) 2005-10-11 US disclosed
US-20030236250-A1 Cyclohexane derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 2003-12-25 US disclosed
US-20030225059-A1 Cyclohexyl derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 2003-12-04 US disclosed
EP-1286967-A1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 2003-03-05 EP disclosed
EP-1286978-A1 CYCLOHEXYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 2003-03-05 EP disclosed
WO-2001087866-A1 CYCLOHEXYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2001-11-22 WO disclosed
WO-2001087838-A1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2001-11-22 WO disclosed
US-6090812-A THERAPY FOR PSYCHOLOGICAL, CENTRAL NERVOUS SYSTEM DISORDERS DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 2000-07-18 US disclosed
EP-0908458-A1 Substituted pyridylmethylpiperazine and -piperidine derivatives, their preparation and their use for treating central nervous system (CNS) disorders DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1999-04-14 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 (3 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-20030236250-A1 Cyclohexane derivatives and their use as therapeutic agents CNR2, CNR1, HTR1A LMNA 714/4885MAPT 2612/4885MAPK14 741/4885
US-20030225059-A1 Cyclohexyl derivatives and their use as therapeutic agents CNR2, CNR1, HRH2 LMNA 658/4885MAPT 2676/4885MAPK14 979/4885
US-20220133740-A1 VALPROIC ACID COMPOUNDS AND WNT AGONISTS FOR TREATING EAR DISORDERS WNT3A, WNT1, WNT3 LMNA 1856/4885MAPT 1671/4885MAPK14 3796/4885

“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.