SCHEMBL245593

SCHEMBL245593

N#Cc1c(N)nc(Sc2ccccc2)c(C#N)c1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.64
ALDH1A1 P00352 3/20 0.62
MEN1 O00255 2/20 0.62
ALOX15 P16050 2/20 0.62
KMT2A Q03164 2/20 0.62
KDM4E B2RXH2 7/20 0.61
MAPT P10636 3/20 0.61
RXFP1 Q9HBX9 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
ADORA2A P29274 6/20 0.55
ADORA3 P0DMS8 1/20 0.55
ADORA2B P29275 1/20 0.55
HSD17B10 Q99714 3/20 0.55
HTT P42858 3/20 0.55
ADRA2A P08913 2/20 0.55
LMNA P02545 1/20 0.55
MAPK1 P28482 1/20 0.55
RET P07949 2/20 0.54
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL28185531 0.92 KDM4E (0.73) ADORA1ALDH1A1MEN1ALOX15KMT2A
SCHEMBL244863 0.91 ADORA1 (0.61) ADORA1ALDH1A1MEN1ALOX15KMT2A
SCHEMBL13938147 0.91 ADORA1 (0.62) ADORA1ALDH1A1MEN1ALOX15KMT2A
SCHEMBL15286658 0.87 ADORA1 (0.64) ADORA1ALDH1A1MEN1ALOX15KMT2A
SCHEMBL3333404 0.87 MAPT (0.81) ADORA1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL245478 0.87 ADORA1 (0.65) ADORA1ALDH1A1MEN1ALOX15KMT2A
SCHEMBL3548799 0.87 KDM4E (0.49) ADORA1ALDH1A1MEN1ALOX15KMT2A
SCHEMBL13849107 0.86 KDM4E (0.52) ADORA1ALDH1A1MEN1ALOX15KMT2A
SCHEMBL6462984 0.86 MAPT (0.59) ADORA1ALDH1A1MEN1ALOX15KMT2A
SCHEMBL28324237 0.85 ADORA1 (0.60) ADORA1ALDH1A1MEN1ALOX15KMT2A

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160130230-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-12 US disclosed
US-20160130230-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-12 US disclosed
US-20160130230-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-12 US disclosed
US-9187428-B2 Substituted dicyanopyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
US-9187428-B2 Substituted dicyanopyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
US-9187428-B2 Substituted dicyanopyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
CN-104649967-A Green catalytic method for preparing 2-amino-4-phenyl-6-(phenylthio)-3,5-dicyanopyridine derivatives UNIV ANHUI TECHNOLOGY 2015-05-27 CN disclosed
CN-104649967-A Green catalytic method for preparing 2-amino-4-phenyl-6-(phenylthio)-3,5-dicyanopyridine derivatives UNIV ANHUI TECHNOLOGY 2015-05-27 CN disclosed
US-20130210795-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-15 US disclosed
US-20130210795-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-15 US disclosed
US-20070213372-A1 Substituted 2, 6-diamino-3, 5-dicyano-4-arylpyridines and their use as adenosine-receptor-selective ligands BAYER AKTIENGESELLSCHAFT (DE) 2007-09-13 US disclosed
US-20070213372-A1 Substituted 2, 6-diamino-3, 5-dicyano-4-arylpyridines and their use as adenosine-receptor-selective ligands BAYER AKTIENGESELLSCHAFT (DE) 2007-09-13 US disclosed
US-20070213372-A1 Substituted 2, 6-diamino-3, 5-dicyano-4-arylpyridines and their use as adenosine-receptor-selective ligands BAYER AKTIENGESELLSCHAFT (DE) 2007-09-13 US disclosed
EP-1368319-B1 SUBSTITUTED 2-THIO-3,5-DICYANO-4-ARYL-6-AMINOPYRIDINES AND THEIR USE AS ADENOSINE RECEPTOR-SELECTIVE LIGANDS BAYER HEALTHCARE AG (DE) 2006-12-06 EP disclosed
US-20060154969-A1 Adenosine receptor selective modulators BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-13 US disclosed
US-20040162427-A1 Substituted 2,6-diamino-3,5-dicyano-4-aryl-pyridines and their use as adenosine receptor-selective ligands BAYER AKTIENGESELLSCHAFT (DE) 2004-08-19 US disclosed
EP-1373265-A1 SUBSTITUTED 2,6-DIAMINO-3,5-DICYANO-4-ARYL-PYRIDINES AND THEIR USE AS ADENOSINE RECEPTOR-SELECTIVE LIGANDS Bayer HealthCare AG (DE) 2004-01-02 EP disclosed
EP-1368319-A1 SUBSTITUTED 2-THIO-3,5-DICYANO-4-ARYL-6-AMINOPYRIDINES AND THEIR USE AS ADENOSINE RECEPTOR-SELECTIVE LIGANDS Bayer Aktiengesellschaft (DE) 2003-12-10 EP disclosed
WO-2002070520-A1 SUBSTITUTED 2,6-DIAMINO-3,5-DICYANO-4-ARYL-PYRIDINES AND THEIR USE AS ADENOSINE RECEPTOR-SELECTIVE LIGANDS BAYER AKTIENGESELLSCHAFT (DE) 2002-09-12 WO disclosed
WO-2002070485-A1 SUBSTITUTED 2-THIO-3,5-DICYANO-4-ARYL-6-AMINOPYRIDINES AND THEIR USE AS ADENOSINE RECEPTOR-SELECTIVE LIGANDS BAYER AKTIENGESELLSCHAFT (DE) 2002-09-12 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 (5 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-20130210795-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF QDPR, DPYD, DDC ADORA1 3010/4885ALDH1A1 1442/4885MEN1 2203/4885
US-20040162427-A1 Substituted 2,6-diamino-3,5-dicyano-4-aryl-pyridines and their use as adenosine receptor-selective ligands ADORA2A, ADORA3, ADORA1 ADORA1 3/4885ALDH1A1 485/4885MEN1 3334/4885
US-20060154969-A1 Adenosine receptor selective modulators ADORA2A, ADORA1, ADORA3 ADORA1 2/4885ALDH1A1 738/4885MEN1 3230/4885
US-20160130230-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF QDPR, DPYD, DDC ADORA1 3010/4885ALDH1A1 1442/4885MEN1 2203/4885
US-20070213372-A1 Substituted 2, 6-diamino-3, 5-dicyano-4-arylpyridines and their use as adenosine-receptor-selective ligands ADORA3, ADORA1, ADORA2A ADORA1 2/4885ALDH1A1 794/4885MEN1 2298/4885

“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.