SCHEMBL873512

SCHEMBL873512

CCc1cc2ccccc2cn1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.54
CYP2A6 P11509 2/20 0.54
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PDE10A Q9Y233 4/20 0.50
PDPK1 O15530 1/20 0.48
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
HTR3A P46098 1/20 0.41
PLAU P00749 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
AKT1 P31749 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL6114924 0.83 ATM (0.57) CYP1A2CYP2A6ATML3MBTL1PDE10A
SCHEMBL6115037 0.80 ATM (0.63) CYP1A2CYP2A6ATML3MBTL1PDE10A
SCHEMBL3636909 0.79 CYP1A2 (0.46) CYP1A2CYP2A6ATML3MBTL1PDE10A
SCHEMBL3347670 0.79 L3MBTL1 (0.61) CYP1A2CYP2A6ATML3MBTL1PDE10A
SCHEMBL11322378 0.79 PDE10A (0.46) CYP1A2CYP2A6ATML3MBTL1PDE10A
SCHEMBL2908675 0.78 L3MBTL1 (0.51) CYP1A2CYP2A6ATML3MBTL1PDE10A
SCHEMBL3639574 0.78 PDPK1 (0.54) CYP1A2CYP2A6ATML3MBTL1PDE10A
SCHEMBL13977557 0.78 ATM (0.51) CYP1A2CYP2A6ATML3MBTL1PDE10A
SCHEMBL3823640 0.78 ATM (0.51) CYP1A2CYP2A6ATML3MBTL1PDE10A
SCHEMBL1999306 0.78 ATM (0.51) CYP1A2CYP2A6ATML3MBTL1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796800-B2 Process for producing polydienes BRIDGESTONE CORPORATION (JP) 2017-10-24 US claimed
US-20160108153-A1 PROCESS FOR PRODUCING POLYDIENES BRIDGESTONE CORPORATION (JP) 2016-04-21 US claimed
US-9249244-B2 Process for producing polydienes BRIDGESTONE CORPORATION (JP) 2016-02-02 US claimed
EP-2619233-A1 PROCESS FOR PRODUCING POLYDIENES Bridgestone Corporation (JP) 2013-07-31 EP claimed
WO-2012040026-A1 PROCESS FOR PRODUCING POLYDIENES BRIDGESTONE CORPORATION (JP) 2012-03-29 WO claimed
WO-2024106914-A1 HETEROARYL DERIVATIVE COMPOUND, AND USES THEREOF VORONOI INC. (KR) 2024-05-23 WO disclosed
EP-3647311-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-11-01 EP disclosed
US-20230330240-A1 TECHNOLOGIES FOR PREVENTING OR TREATING INFECTIONS BIOHAVEN THERAPEUTICS LTD (US) 2023-10-19 US disclosed
US-20230330240-A1 TECHNOLOGIES FOR PREVENTING OR TREATING INFECTIONS BIOHAVEN THERAPEUTICS LTD (US) 2023-10-19 US disclosed
US-20230322815-A1 NOVEL COMPOUNDS AND THERAPEUTIC USES THEREOF UNIVERSITY OF HUDDERSFIELD (GB) 2023-10-12 US disclosed
US-11655233-B2 WNT signaling pathway inhibitors for treatments of disease UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-05-23 US disclosed
US-11643416-B2 Substituted 1′,2′-dihydro-3′H-spiro[cyclohexane-1,4′-pyrimido[5′,4′:4,5]pyrrolo[2,1-c][1,2,4]triazin]-3′-ones as cyclin-dependent kinase inhibitors G1 THERAPEUTICS, INC. (US) 2023-05-09 US disclosed
WO-2008008374-A2 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. (US) 2008-01-17 WO disclosed
US-20070299059-A1 Compostions and methods relating to novel compounds and targets thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-12-27 US disclosed
US-7276348-B2 Compositions and methods relating to F1F0-ATPase inhibitors and targets thereof REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-10-02 US disclosed
EP-1829877-A1 BICYCLIC PYRROLE DERIVATIVES Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-09-05 EP disclosed
US-7189728-B2 Inhibitors of dipeptidyl peptidase IV FERRING, BV (NL) 2007-03-13 US disclosed
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 US disclosed
US-20070043033-A1 Unsolvated benzodiazepine compositions and methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-02-22 US disclosed
US-20030229116-A1 ENAMINE DERIVATIVES UCB PHARMA S.A. (BE) 2003-12-11 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 (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-20070299059-A1 Compostions and methods relating to novel compounds and targets thereof CASP1, BAX, BAD CYP1A2 676/4885CYP2A6 1205/4885ATM 4393/4885
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE CYP1A2 3406/4885CYP2A6 2545/4885ATM 3869/4885
US-20030229116-A1 ENAMINE DERIVATIVES ITGB2, CCR1, CCR10 CYP1A2 572/4885CYP2A6 785/4885ATM 3400/4885
US-20070043033-A1 Unsolvated benzodiazepine compositions and methods GABRA5, GABRA3, GABRA6 CYP1A2 48/4885CYP2A6 49/4885ATM 4735/4885
US-11655233-B2 WNT signaling pathway inhibitors for treatments of disease WNT1, CTNNB1, WNT3A CYP1A2 4591/4885CYP2A6 3981/4885ATM 1516/4885
US-11643416-B2 Substituted 1′,2′-dihydro-3′H-spiro[cyclohexane-1,4′-pyrimido[5′,4′:4,5]pyrrolo[2,1-c][1,2,4]triazin]-3′-ones as cyclin-dependent kinase inhibitors CDK2, CCNI, CCNK CYP1A2 1500/4885CYP2A6 1431/4885ATM 1529/4885
US-20230322815-A1 NOVEL COMPOUNDS AND THERAPEUTIC USES THEREOF BRCA1, TPX2, XPA CYP1A2 731/4885CYP2A6 1447/4885ATM 2155/4885
US-20230330240-A1 TECHNOLOGIES FOR PREVENTING OR TREATING INFECTIONS HAVCR2, ACE2, EPCAM CYP1A2 4416/4885CYP2A6 4058/4885ATM 3090/4885

“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.