SCHEMBL1177396

SCHEMBL1177396

Cc1ccccc1CSc1nc2c(c(-c3ccncc3)c1C#N)CCCC2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 5/20 0.59
FNTA P49354 1/20 0.57
FNTB P49356 1/20 0.57
ALDH1A1 P00352 8/20 0.55
KDM4E B2RXH2 6/20 0.55
HSD17B10 Q99714 5/20 0.55
HPGD P15428 5/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ALK Q9UM73 3/20 0.54
ABL1 P00519 2/20 0.54
NPSR1 Q6W5P4 3/20 0.54
LMNA P02545 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
GAA P10253 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 2/20 0.50
TDP1 Q9NUW8 1/20 0.49
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48

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
SCHEMBL1177261 0.84 RET (0.77) RETFNTAFNTBALDH1A1KDM4E
SCHEMBL1177621 0.79 FNTA (0.80) RETFNTAFNTBALDH1A1KDM4E
SCHEMBL1177028 0.75 RET (0.74) RETFNTAFNTBALDH1A1KDM4E
SCHEMBL30795260 0.74 RET (0.65) RETFNTAFNTBALDH1A1KDM4E
SCHEMBL2533618 0.74 RET (0.65) RETFNTAFNTBALDH1A1KDM4E
SCHEMBL1177609 0.73 FNTA (0.73) RETFNTAFNTBALDH1A1KDM4E
SCHEMBL15693215 0.73 L3MBTL1 (0.56) FNTAFNTBALDH1A1HSD17B10HPGD
SCHEMBL15573454 0.72 KDM4E (0.67) RETFNTAFNTBALDH1A1KDM4E
SCHEMBL17351499 0.70 KDM4E (0.65) ALDH1A1KDM4EHSD17B10HPGDMEN1
SCHEMBL1177162 0.70 RET (1.00) RETFNTAFNTBALDH1A1KDM4E

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 13 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
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
EP-2234980-B1 FUSED CYNOPRYRIDINES AND THE USE THEREOF BAYER IP GMBH (DE) 2013-01-23 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.