SCHEMBL4535362

SCHEMBL4535362

N#Cc1c(S)nc2c(c1-c1ccccc1)CCC2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 15/20 0.71
ALDH1A1 P00352 11/20 0.71
ADORA2A P29274 2/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
HSD17B10 Q99714 7/20 0.67
HPGD P15428 9/20 0.58
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 3/20 0.50
GAA P10253 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TSHR P16473 3/20 0.49
HTT P42858 1/20 0.49
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 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
SCHEMBL16295335 0.97 KDM4E (0.71) KDM4EALDH1A1ADORA2ASMN1; SMN2HSD17B10
SCHEMBL16295274 0.83 KDM4E (0.56) KDM4EALDH1A1ADORA2ASMN1; SMN2HSD17B10
SCHEMBL1177057 0.83 KDM4E (1.00) KDM4EALDH1A1ADORA2ASMN1; SMN2HSD17B10
SCHEMBL1177499 0.83 KDM4E (0.75) KDM4EALDH1A1ADORA2ASMN1; SMN2HSD17B10
SCHEMBL1177695 0.82 KDM4E (0.69) KDM4EALDH1A1ADORA2ASMN1; SMN2HSD17B10
SCHEMBL4535360 0.81 KDM4E (0.64) KDM4EALDH1A1ADORA2ASMN1; SMN2HSD17B10
SCHEMBL16294362 0.80 KDM4E (0.70) KDM4EALDH1A1ADORA2ASMN1; SMN2HSD17B10
SCHEMBL6252358 0.80 KDM4E (1.00) KDM4EALDH1A1ADORA2ASMN1; SMN2HSD17B10
SCHEMBL17351540 0.80 KDM4E (0.71) KDM4EALDH1A1ADORA2ASMN1; SMN2HSD17B10
SCHEMBL17351373 0.79 KDM4E (0.97) KDM4EALDH1A1ADORA2ASMN1; SMN2HSD17B10

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 9 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 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-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
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 KDM4E 3945/4885ALDH1A1 2826/4885ADORA2A 2437/4885

“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.