SCHEMBL1176944

SCHEMBL1176944

N#Cc1c(N)nc2[nH]c(=O)[nH]c(=O)c2c1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.59
CDK5 Q00535 2/20 0.56
DYRK1A Q13627 2/20 0.56
CDK5R1 Q15078 1/20 0.56
LMNA P02545 1/20 0.50
ADORA2A P29274 5/20 0.49
HSD17B10 Q99714 2/20 0.49
ADRA2A P08913 2/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 4/20 0.48
XDH P47989 1/20 0.48
ALDH1A1 P00352 3/20 0.47
TDO2 P48775 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
ADORA1 P30542 1/20 0.43

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
SCHEMBL1177647 0.87 IDO1 (0.59) IDO1CDK5DYRK1ACDK5R1ADORA2A
SCHEMBL1176947 0.81 KDM4E (0.45) IDO1HSD17B10KDM4EALDH1A1MEN1
SCHEMBL14498361 0.78 IDO1 (0.51) IDO1CDK5DYRK1ACDK5R1LMNA
SCHEMBL7011406 0.74 ADORA2A (0.70) CDK5DYRK1ACDK5R1LMNAADORA2A
SCHEMBL8565521 0.69 ADORA2A (0.52) CDK5DYRK1ACDK5R1LMNAADORA2A
SCHEMBL7999219 0.69 IDO1 (0.45) IDO1XDHALDH1A1TDO2
SCHEMBL1177330 0.69 IDO1 (0.45) IDO1HSD17B10KDM4EALDH1A1TDO2
SCHEMBL3544893 0.68 ADORA2A (0.62) CDK5DYRK1ACDK5R1LMNAADORA2A
SCHEMBL6072337 0.68 CDK5 (0.54) CDK5DYRK1ACDK5R1LMNAADORA2A
SCHEMBL935581 0.67 ALDH1A1 (0.67) IDO1HSD17B10KDM4EXDHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2556856-B1 6-Cyano-substituted Pyrido[2,3-d]pyrimidines as Adenosin Rezeptor Ligands for the Treatment of Cardiovascular Diseases BAYER IP GMBH (DE) 2015-02-25 EP disclosed
US-8618119-B2 Fused cyanopyridines and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-31 US disclosed
EP-2556831-A1 3,4-Dihydro-4-oxo-5-aryl-pyrido[2,3-d]pyrimidine-6-carbonitriles as Adenosin Receptor Ligands for Treatment of Cardiovascular Diseases Bayer Intellectual Property GmbH (DE) 2013-02-13 EP disclosed
EP-2556856-A1 6-Cyano-substituted Pyrido[2,3-d]pyrimidines as Adenosin Rezeptor Ligands for the Treatment of Cardiovascular Diseases Bayer Intellectual Property GmbH (DE) 2013-02-13 EP disclosed
EP-2555763-A1 VIRAL INHIBITOR COMPOSITIONS FOR IN VIVO THERAPEUTIC USE COMPRISING A COMBINATION OF (-) -CARVONE, GERANIOL AND A FURTHER ESSENTIAL OIL COMPONENT Cesa Alliance S.A. (LU) 2013-02-13 EP disclosed
US-20110046162-A1 FUSED CYANOPYRIDINES AND THE USE THEREOF Bayer Schering Pharma (DE) 2011-02-24 US disclosed
EP-2234980-A1 FUSED CYNOPRYRIDINES AND THE USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2010-10-06 EP disclosed
WO-2009080198-A1 FUSED CYNOPRYRIDINES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 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 (1 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-20110046162-A1 FUSED CYANOPYRIDINES AND THE USE THEREOF TNNI3, QDPR, RYR2 IDO1 4726/4885CDK5 671/4885DYRK1A 3644/4885

“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.