SCHEMBL3676401

SCHEMBL3676401

Cc1[nH]c2ccccc2c1C#N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.57
PDE9A O76083 4/20 0.51
PDE1C Q14123 1/20 0.51
MAPT P10636 6/20 0.47
CYP3A4 P08684 1/20 0.47
ALDH1A1 P00352 6/20 0.46
GPR3 P46089 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 2/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
KDM4E B2RXH2 4/20 0.44
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.44
IMPDH2 P12268 1/20 0.44
GFER P55789 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL6210695 0.82 AHR (0.55) AHRMAPTCYP3A4ALDH1A1GPR3
SCHEMBL6545651 0.82 AHR (0.55) AHRMAPTCYP3A4ALDH1A1GPR3
SCHEMBL2464667 0.79 PDE9A (0.49) AHRPDE9APDE1CMAPTALDH1A1
SCHEMBL29635217 0.79 PDE9A (0.49) AHRPDE9APDE1CMAPTALDH1A1
SCHEMBL15926509 0.78 PDE9A (0.47) AHRPDE9APDE1CMAPTALDH1A1
SCHEMBL17185603 0.78 PDE9A (0.47) AHRPDE9APDE1CMAPTALDH1A1
SCHEMBL25929859 0.78 PDE9A (0.47) AHRPDE9APDE1CMAPTALDH1A1
SCHEMBL1514832 0.78 PDE9A (0.47) AHRPDE9APDE1CMAPTALDH1A1
SCHEMBL5858501 0.78 PLA2G1B (0.59) PDE9APDE1CMAPTALDH1A1GPR3
SCHEMBL27975620 0.78 PDE9A (0.47) AHRPDE9APDE1CMAPTALDH1A1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203482-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS Bridgestone Corporation (JP) 2010-07-07 EP claimed
WO-2009051702-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2009-04-23 WO claimed
WO-2009051700-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (US) 2009-04-23 WO claimed
EP-3458488-A1 PROCESS FOR PRODUCING FUNCTIONALIZED POLYMERS Bridgestone Corporation (JP) 2019-03-27 EP disclosed
CN-109369502-A A kind of indomethacin derivatives and its preparation method and application 宜春学院 2019-02-22 CN disclosed
CN-109153674-A Iminothiadiazine dioxide derivatives as inhibitors of plasmepsin V of plasmodium UCB生物制药私人有限公司 2019-01-04 CN disclosed
WO-2017201397-A1 PROCESS FOR PRODUCING FUNCTIONALIZED POLYMERS BRIDGESTONE CORPORATION (JP) 2017-11-23 WO disclosed
US-20140107106-A1 THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USING THE SAME AFFINIUM PHARMACEUTICALS, INC. (CA) 2014-04-17 US disclosed
US-20130281442-A1 Compounds for Treatment of Bovine Mastitis DEBIOPHARM INTERNATIONAL SA (CH) 2013-10-24 US disclosed
US-7465738-B2 Compounds useful as promoters of SMN2 VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-12-16 US disclosed
EP-1397360-A1 AZAINDOLES Aventis Pharma Limited (GB) 2004-03-17 EP disclosed
EP-1276721-A2 METHYLATION OF INDOLE COMPOUNDS USING DIMETHYL CARBONATE F. HOFFMANN-LA ROCHE AG (CH) 2003-01-22 EP disclosed
WO-2003000688-A1 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2003-01-03 WO disclosed
EP-1263759-A2 AZAINDOLES Aventis Pharma Limited (GB) 2002-12-11 EP disclosed
WO-2001081305-A2 METHYLATION OF INDOLE COMPOUNDS USING DIMETHY CARBONATE F. HOFFMANN-LA ROCHE AG (CH) 2001-11-01 WO disclosed
WO-2001047922-A2 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2001-07-05 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 (2 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-20130281442-A1 Compounds for Treatment of Bovine Mastitis LPO, MPO, MMP8 AHR 3912/4885PDE9A 3651/4885PDE1C 3749/4885
US-20140107106-A1 THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USING THE SAME MCL1, DHFR, ANXA5 AHR 4675/4885PDE9A 3358/4885PDE1C 1958/4885

“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.