SCHEMBL1177896

SCHEMBL1177896

N#Cc1c(SCc2csc(-c3ccc(C(=O)O)cc3)n2)nc2c(c1-c1ccccc1)CCC2

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.77
FNTB P49356 1/20 0.77
RET P07949 6/20 0.56
ALK Q9UM73 3/20 0.54
ADORA1 P30542 7/20 0.53
ABL1 P00519 2/20 0.51
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 2/20 0.48
KDM4E B2RXH2 2/20 0.47
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
MAPK1 P28482 1/20 0.46
SLC6A3 Q01959 1/20 0.46
PRNP P04156 1/20 0.46
RAB9A P51151 1/20 0.46
ADORA2A P29274 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL1177344 0.91 FNTA (0.64) FNTAFNTBRETALKADORA1
SCHEMBL1177621 0.77 FNTA (0.80) FNTAFNTBRETALKABL1
SCHEMBL23683054 0.77 RET (0.82) FNTAFNTBRETALKADORA1
SCHEMBL1177609 0.77 FNTA (0.73) FNTAFNTBRETALKABL1
SCHEMBL1422919 0.74 ADORA1 (0.71) ADORA1ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL1177028 0.73 RET (0.74) FNTAFNTBRETALKABL1
SCHEMBL1177766 0.72 ADORA1 (0.84) RETADORA1SLC6A3
SCHEMBL8011126 0.71 ADORA1 (0.56) FNTAFNTBRETADORA1SLC6A3
SCHEMBL3576171 0.71 ADORA1 (0.41) FNTAFNTBADORA1SLC6A3PRNP
SCHEMBL3572722 0.71 ADORA1 (0.50) ADORA1SLC6A3

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 12 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 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-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-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-2234980-B1 FUSED CYNOPRYRIDINES AND THE USE THEREOF BAYER IP GMBH (DE) 2013-01-23 EP disclosed
US-20110046162-A1 FUSED CYANOPYRIDINES AND THE USE THEREOF Bayer Schering Pharma (DE) 2011-02-24 US disclosed
US-20110046162-A1 FUSED CYANOPYRIDINES AND THE USE THEREOF Bayer Schering Pharma (DE) 2011-02-24 US 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
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.