SCHEMBL3663915

SCHEMBL3663915

CCCCCc1nc(CCl)co1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.39
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PPARA Q07869 1/20 0.33
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
MCL1 Q07820 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL2867677 0.87 KCNH2 (0.47) KCNH2MEN1KMT2APPARAS1PR1
SCHEMBL2042156 0.87 S1PR1 (0.35) S1PR1RAB9ANPC1
SCHEMBL28341385 0.81 KCNH2 (0.39) KCNH2MEN1KMT2APPARAS1PR1
SCHEMBL27791136 0.80 KCNH2 (0.36) KCNH2MEN1KMT2A
SCHEMBL5544212 0.79 KCNH2 (0.41) KCNH2PPARAS1PR1S1PR3
SCHEMBL5548022 0.78 KCNH2 (0.43) KCNH2PPARAS1PR1S1PR3ALDH1A1
SCHEMBL5536742 0.77 KCNH2 (0.42) KCNH2PPARA
SCHEMBL5540621 0.76 KCNH2 (0.44) KCNH2PPARAALDH1A1
SCHEMBL5540326 0.75 KCNH2 (0.43) KCNH2PPARA
SCHEMBL14764837 0.74 KCNH2 (0.37) KCNH2MEN1KMT2APPARAS1PR1

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
EP-2099788-B1 CYCLICALLY SUBSTITUTED 3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF BAYER IP GMBH (DE) 2013-03-06 EP disclosed
US-8304412-B2 Cyclically substituted 3,5-dicyano-2-thiopyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-06 US disclosed
US-20100022544-A1 CYCLICALLY SUBSTITUTED 3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-01-28 US disclosed
EP-2099788-A1 CYCLICALLY SUBSTITUTED 3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2009-09-16 EP disclosed
US-7579479-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-25 US disclosed
EP-1218361-B1 OXA- AND THIAZOLE DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS BRISTOL MYERS SQUIBB CO (US) 2009-01-07 EP disclosed
EP-1939188-A1 Oxa-and thiazole derivatives useful as antidiabetic and antiobesity agents Bristol-Myers Squibb Company (US) 2008-07-02 EP disclosed
WO-2008064788-A1 CYCLICALLY SUBSTITUTED 3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-05 WO disclosed
US-7241780-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOLS-MYERS SQUIBB COMPANY (US) 2007-07-10 US disclosed
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2007-01-18 US disclosed
US-20030087935-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T (US) 2003-05-08 US disclosed
US-20030069275-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T (US) 2003-04-10 US disclosed
EP-1218361-A1 OXA- AND THIAZOLE DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-07-03 EP disclosed
US-6414002-B1 ANTILIPEMIC AGENTS; ANTICANCER, ANTITUMOR AGENTS BRISTOL-MYERS SQUIBB COMPANY 2002-07-02 US disclosed
WO-2001021602-A1 OXA- AND THIAZOLE DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-03-29 WO disclosed
US-5719140-A ANALGESICS, PROSTAGLANDIN-E2 ANTAGONISTS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed
EP-0696283-B1 2-, 3-, 4-, 5-, 6-, 7-, 8-, 9- AND/OR 10-SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE SEARLE & CO (US) 1997-09-17 EP disclosed
EP-0696283-A1 2-, 3-, 4-, 5-, 6-, 7-, 8-, 9- AND/OR 10-SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE SEARLE & CO (US) 1996-02-14 EP disclosed
US-5395932-A Analgesics, prostaglandin E2 inhibitors G. D. SEARLE & CO. (US) 1995-03-07 US disclosed
WO-1994025456-A1 2-, 3-, 4-, 5-, 6-, 7-, 8-, 9- AND/OR 10-SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1994-11-10 WO 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 (4 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-20030069275-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, PNLIP KCNH2 3084/4885MEN1 2985/4885KMT2A 1137/4885
US-20100022544-A1 CYCLICALLY SUBSTITUTED 3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF QDPR, TPMT, PTGIS KCNH2 94/4885MEN1 3404/4885KMT2A 3508/4885
US-20030087935-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, PNLIP KCNH2 3084/4885MEN1 2985/4885KMT2A 1137/4885
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, ACACA KCNH2 3006/4885MEN1 2369/4885KMT2A 700/4885

“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.