SCHEMBL244063

SCHEMBL244063

CCNC(=O)c1cccc(CSc2nc(N)c(C#N)c(-c3ccc(OCCO)cc3)c2C#N)c1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 19/20 0.77
ADORA2B P29275 2/20 0.67
ADORA2A P29274 2/20 0.58
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
USP2 O75604 1/20 0.56
ALDH1A1 P00352 1/20 0.56
TP53 P04637 1/20 0.56
MAPT P10636 1/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
KMT2A Q03164 1/20 0.56
HSD17B10 Q99714 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL245503 0.93 ADORA1 (0.72) ADORA1ADORA2B
SCHEMBL382292 0.89 ADORA1 (0.76) ADORA1ADORA2BADORA2AKDM4EMEN1
SCHEMBL246621 0.87 ADORA1 (1.00) ADORA1ADORA2B
SCHEMBL244760 0.85 ADORA1 (0.71) ADORA1ADORA2BKDM4EMEN1USP2
SCHEMBL244025 0.85 ADORA1 (0.70) ADORA1ADORA2B
SCHEMBL8034134 0.84 ADORA1 (0.63) ADORA1ADORA2BADORA2AKDM4EMEN1
SCHEMBL254320 0.83 ADORA1 (0.70) ADORA1ADORA2BADORA2AKDM4EMEN1
SCHEMBL253477 0.83 ADORA1 (0.64) ADORA1ADORA2BADORA2A
SCHEMBL3327818 0.82 ADORA1 (0.76) ADORA1ADORA2BKDM4EMEN1USP2
SCHEMBL244862 0.81 ADORA1 (0.89) ADORA1

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-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
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-20130210795-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-15 US disclosed
EP-2588454-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF Bayer Intellectual Property GmbH (DE) 2013-05-08 EP disclosed
WO-2012000945-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-05 WO disclosed
WO-2012000945-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-05 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 (2 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 3010/4885ADORA2B 2447/4885ADORA2A 3158/4885
US-20160130230-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF QDPR, DPYD, DDC ADORA1 3010/4885ADORA2B 2447/4885ADORA2A 3158/4885

“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.