SCHEMBL1177028

SCHEMBL1177028

N#Cc1c(SCc2ccccc2)nc2c(c1-c1ccc(Cl)cc1)CCCC2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 7/20 0.74
FNTA P49354 1/20 0.70
FNTB P49356 1/20 0.70
ALK Q9UM73 3/20 0.67
ABL1 P00519 2/20 0.67
ALDH1A1 P00352 9/20 0.55
MAPK1 P28482 3/20 0.55
HSD17B10 Q99714 4/20 0.55
KDM4E B2RXH2 3/20 0.55
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
NPSR1 Q6W5P4 4/20 0.54
CXCR5 P32302 1/20 0.53
PPARG P37231 2/20 0.53
NCOA2 Q15596 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
ADORA2A P29274 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 2/20 0.52
TP53 P04637 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
SCHEMBL1177621 0.92 FNTA (0.80) RETFNTAFNTBALKABL1
SCHEMBL1177609 0.87 FNTA (0.73) RETFNTAFNTBALKABL1
SCHEMBL1177162 0.80 RET (1.00) RETFNTAFNTBALKABL1
SCHEMBL13913706 0.80 RET (0.71) RETALDH1A1MAPK1HSD17B10KDM4E
SCHEMBL16303979 0.77 RXFP1 (0.53) RETFNTAFNTBALKALDH1A1
SCHEMBL16295301 0.77 RXFP1 (0.64) RETFNTAFNTBALKALDH1A1
SCHEMBL251890 0.75 ALDH1A1 (0.62) RETFNTAFNTBALDH1A1MAPK1
SCHEMBL31120389 0.75 KDM4E (0.78) ALDH1A1MAPK1HSD17B10KDM4EKMT2A
SCHEMBL1177396 0.75 RET (0.59) RETFNTAFNTBALKABL1
SCHEMBL6250232 0.74 KDM4E (0.79) ALDH1A1MAPK1HSD17B10KDM4EKMT2A

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
US-8618119-B2 Fused cyanopyridines and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-31 US claimed
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
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 RET 4094/4885FNTA 2192/4885FNTB 2590/4885

“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.