SCHEMBL1177609

SCHEMBL1177609

N#Cc1c(SCc2ccccc2)nc2c(c1-c1ccc(O)cc1)CCC2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.73
FNTB P49356 1/20 0.73
RET P07949 6/20 0.70
ALDH1A1 P00352 10/20 0.67
HSD17B10 Q99714 4/20 0.67
MAPK1 P28482 3/20 0.67
MAPT P10636 2/20 0.67
ALOX15 P16050 1/20 0.67
ALOX12 P18054 1/20 0.67
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
ALK Q9UM73 3/20 0.64
ABL1 P00519 2/20 0.64
NPSR1 Q6W5P4 5/20 0.54
PPARG P37231 2/20 0.54
NCOA2 Q15596 2/20 0.54
TP53 P04637 1/20 0.54
NCOA1 Q15788 1/20 0.54
ESR2 Q92731 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54

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
SCHEMBL1177621 0.90 FNTA (0.80) FNTAFNTBRETALDH1A1HSD17B10
SCHEMBL1177028 0.87 RET (0.74) FNTAFNTBRETALDH1A1HSD17B10
SCHEMBL3597566 0.79 RET (0.70) RETALDH1A1HSD17B10MAPTALOX15
SCHEMBL1177162 0.78 RET (1.00) FNTAFNTBRETALDH1A1HSD17B10
SCHEMBL1177896 0.77 FNTA (0.77) FNTAFNTBRETALDH1A1HSD17B10
SCHEMBL1177344 0.73 FNTA (0.64) FNTAFNTBRETALDH1A1HSD17B10
SCHEMBL1177396 0.73 RET (0.59) FNTAFNTBRETALDH1A1HSD17B10
SCHEMBL15693183 0.72 ALDH1A1 (0.56) FNTAFNTBRETALDH1A1HSD17B10
SCHEMBL15693236 0.72 FNTA (0.56) FNTAFNTBRETALDH1A1HSD17B10
SCHEMBL23683054 0.71 RET (0.82) FNTAFNTBRETALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
US-20110046162-A1 FUSED CYANOPYRIDINES AND THE USE THEREOF Bayer Schering Pharma (DE) 2011-02-24 US claimed
EP-2234980-A1 FUSED CYNOPRYRIDINES AND THE USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2010-10-06 EP claimed
WO-2009080198-A1 FUSED CYNOPRYRIDINES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 WO claimed
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
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 FNTA 2192/4885FNTB 2590/4885RET 4094/4885

“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.