SCHEMBL935581

SCHEMBL935581

N#Cc1c(N)[nH]c(=O)c(C#N)c1-c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.67
KDM4E B2RXH2 6/20 0.67
HSD17B10 Q99714 3/20 0.67
ALOX15 P16050 2/20 0.67
MAPT P10636 1/20 0.67
PDE9A O76083 3/20 0.60
IDO1 P14902 1/20 0.56
XDH P47989 1/20 0.55
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
ATM Q13315 1/20 0.50
HPGD P15428 3/20 0.49
GAA P10253 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
PDE1C Q14123 1/20 0.48
HSD11B1 P28845 1/20 0.47
RXFP1 Q9HBX9 3/20 0.46
GLA P06280 2/20 0.46
PKM P14618 1/20 0.45

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
SCHEMBL935141 0.80 ALDH1A1 (1.00) ALDH1A1KDM4EHSD17B10ALOX15MAPT
SCHEMBL14872209 0.80 PDE9A (0.60) ALDH1A1KDM4EHSD17B10ALOX15MAPT
SCHEMBL32688154 0.78 PDE9A (0.57) ALDH1A1KDM4EHSD17B10ALOX15MAPT
SCHEMBL1932393 0.76 MAPT (0.58) ALDH1A1KDM4EHSD17B10ALOX15MAPT
SCHEMBL5618046 0.75 PDE9A (1.00) ALDH1A1KDM4EMAPTPDE9AIDO1
SCHEMBL27991243 0.74 PLA2G1B (0.45) ALDH1A1KDM4EHSD17B10ALOX15MAPT
SCHEMBL16984845 0.73 ALDH1A1 (0.55) ALDH1A1KDM4EHSD17B10ALOX15MAPT
SCHEMBL12681373 0.73 ALDH1A1 (0.55) ALDH1A1KDM4EHSD17B10ALOX15MAPT
SCHEMBL11014876 0.72 KDM4E (0.55) ALDH1A1KDM4EPDE9AIDO1XDH
SCHEMBL1034013 0.71 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10ALOX15MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274299-B1 HETEROARYL-SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF FOR TREATMENT OF CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2016-06-15 EP disclosed
US-9205077-B2 2-alkoxy-substituted dicyanopyridines and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-08 US disclosed
US-9095582-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 US disclosed
US-20140296295-A1 2-ALKOXY-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-02 US disclosed
US-8791146-B2 2-alkoxy-substituted dicyanopyridines and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-29 US disclosed
US-20140162981-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-12 US disclosed
EP-2297104-B1 2-ALKOXY-SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER IP GMBH (DE) 2013-08-07 EP disclosed
US-8440700-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-14 US disclosed
US-8426602-B2 Heteroaryl-substituted dicyanopyridines and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-23 US disclosed
EP-2185550-B1 SUBSTITUTED ARYLOXAZOLES AND THE USE THEREOF Bayer Pharma AG (DE) 2011-11-02 EP disclosed
US-20110130377-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 US disclosed
EP-2297104-A1 2-ALKOXY-SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2011-03-23 EP disclosed
US-20110021487-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 US disclosed
EP-2274299-A1 HETEROARYL-SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF FOR TREATMENT OF CARDIOVASCULAR DISEASES Bayer Schering Pharma AG (DE) 2011-01-19 EP disclosed
EP-2242741-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2010-10-27 EP disclosed
EP-2185550-A1 SUBSTITUTED ARYLOXAZOLES AND THE USE THEREOF Bayer Schering Pharma AG (DE) 2010-05-19 EP disclosed
WO-2009143992-A1 2-ALKOXY-SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-12-03 WO disclosed
WO-2009112155-A1 HETEROARYL-SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF FOR TREATMENT OF CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AG (DE) 2009-09-17 WO disclosed
WO-2009100827-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-08-20 WO disclosed
WO-2009015776-A1 SUBSTITUTED ARYLOXAZOLES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-05 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 (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-20110021487-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND THEIR USE PC, DPP4, FABP3 ALDH1A1 1899/4885KDM4E 1690/4885HSD17B10 1034/4885
US-20140296295-A1 2-ALKOXY-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE QDPR, TNNI3, TNNT2 ALDH1A1 747/4885KDM4E 2290/4885HSD17B10 1613/4885
US-20110130377-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE AADAC, CYP4X1, AGXT ALDH1A1 371/4885KDM4E 1724/4885HSD17B10 277/4885
US-20140162981-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE CYP4X1, AHR, AGXT ALDH1A1 555/4885KDM4E 1997/4885HSD17B10 989/4885

“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.