SCHEMBL1177261

SCHEMBL1177261

Cc1ccccc1CSc1nc2c(c(-c3cccs3)c1C#N)CCCC2

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 5/20 0.77
ALK Q9UM73 3/20 0.77
ABL1 P00519 2/20 0.77
ALDH1A1 P00352 9/20 0.60
MAPK1 P28482 2/20 0.60
KDM4E B2RXH2 7/20 0.59
MAPT P10636 6/20 0.59
L3MBTL1 Q9Y468 4/20 0.59
LMNA P02545 5/20 0.58
NPSR1 Q6W5P4 4/20 0.58
RXFP1 Q9HBX9 2/20 0.58
CXCR5 P32302 1/20 0.56
HTT P42858 2/20 0.56
PKM P14618 2/20 0.56
KMT2A Q03164 4/20 0.55
POLB P06746 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.50
GAA P10253 2/20 0.50
FNTA P49354 1/20 0.48
FNTB P49356 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
SCHEMBL1177162 0.87 RET (1.00) RETALKABL1ALDH1A1MAPK1
SCHEMBL1177396 0.84 RET (0.59) RETALKABL1ALDH1A1MAPK1
SCHEMBL1029156 0.83 ALDH1A1 (0.68) RETALKABL1ALDH1A1KDM4E
SCHEMBL16294386 0.82 RET (0.67) RETALKABL1ALDH1A1MAPK1
SCHEMBL23683054 0.80 RET (0.82) RETALKABL1ALDH1A1MAPK1
SCHEMBL16294387 0.75 RXFP1 (0.73) RETALKABL1ALDH1A1MAPK1
SCHEMBL16294281 0.75 KDM4E (0.75) RETALKABL1ALDH1A1MAPK1
SCHEMBL6256897 0.74 KDM4E (1.00) RETALKABL1ALDH1A1KDM4E
SCHEMBL1322425 0.74 KDM4E (0.73) RETALKABL1ALDH1A1MAPK1
SCHEMBL16294693 0.73 RXFP1 (0.91) RETALKABL1ALDH1A1MAPK1

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 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
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 4094/4885ALK 4041/4885ABL1 3417/4885

“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.