SCHEMBL935583

SCHEMBL935583

N#Cc1c(N)nc(O)c(C#N)c1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.61
KDM4E B2RXH2 7/20 0.61
ALDH1A1 P00352 6/20 0.61
HPGD P15428 4/20 0.61
ADRA2A P08913 2/20 0.61
RXFP1 Q9HBX9 2/20 0.61
HSD17B10 Q99714 4/20 0.60
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.58
ADORA1 P30542 4/20 0.58
LMNA P02545 1/20 0.54
CDK5 Q00535 1/20 0.54
DYRK1A Q13627 1/20 0.54
CDK5R1 Q15078 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALOX15 P16050 1/20 0.53
PIM1 P11309 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL7011406 0.88 ADORA2A (0.70) ADORA2AKDM4EALDH1A1HPGDADRA2A
SCHEMBL14872208 0.88 ADORA2A (0.49) ADORA2AKDM4EALDH1A1HPGDADRA2A
SCHEMBL7016311 0.87 ADORA1 (0.50) ADORA2AKDM4EALDH1A1HPGDADRA2A
SCHEMBL3544893 0.81 ADORA2A (0.62) ADORA2AKDM4EALDH1A1HPGDADRA2A
SCHEMBL245321 0.80 ADORA2A (0.60) ADORA2AKDM4EALDH1A1HPGDADRA2A
SCHEMBL19356918 0.80 ADORA2A (0.56) ADORA2AKDM4EALDH1A1HPGDADRA2A
SCHEMBL31139642 0.77 ADORA1 (0.65) ADORA2AKDM4EALDH1A1HPGDADRA2A
SCHEMBL12163763 0.77 ADORA1 (0.51) KDM4EALDH1A1HPGDRXFP1HSD17B10
SCHEMBL12553020 0.77 ADORA1 (0.56) ADORA2AKDM4EALDH1A1HPGDRXFP1
SCHEMBL4436700 0.77 ADORA2A (0.60) ADORA2AKDM4EALDH1A1HPGDADRA2A

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 ADORA2A 3116/4885KDM4E 1690/4885ALDH1A1 1899/4885
US-20140296295-A1 2-ALKOXY-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE QDPR, TNNI3, TNNT2 ADORA2A 1943/4885KDM4E 2290/4885ALDH1A1 747/4885
US-20110130377-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE AADAC, CYP4X1, AGXT ADORA2A 2887/4885KDM4E 1724/4885ALDH1A1 371/4885
US-20140162981-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE CYP4X1, AHR, AGXT ADORA2A 2074/4885KDM4E 1997/4885ALDH1A1 555/4885

“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.