SCHEMBL3306272

SCHEMBL3306272

CC(=O)Nc1ccc(-c2c(C#N)c(N)nc(S)c2C#N)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.47
▸ ADORA2B P29275 2/20 0.47
▸ ADORA2A P29274 1/20 0.47
▸ USP7 Q93009 1/20 0.44
▸ MAPK8 P45983 12/20 0.43
▸ MAP4K4 O95819 4/20 0.43
▸ ITK Q08881 2/20 0.43
▸ CLK4 Q9HAZ1 2/20 0.43
▸ DYRK1A Q13627 2/20 0.43
▸ AURKB Q96GD4 2/20 0.43
▸ ROS1 P08922 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ MAPK9 P45984 8/20 0.43
▸ PRKD3 O94806 4/20 0.43
▸ MAP4K2 Q12851 3/20 0.43
▸ MAPK10 P53779 2/20 0.43
▸ MAP4K5 Q9Y4K4 2/20 0.43
▸ CHUK O15111 1/20 0.43
▸ CDK2 P24941 1/20 0.43

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
SCHEMBL13390349 0.87 USP7 (0.40) ADORA3ADORA2BADORA2AUSP7MAPK8
SCHEMBL4306407 0.83 ADORA3 (0.64) ADORA3ADORA2BADORA2AMAPK8MAP4K4
SCHEMBL3300635 0.80 ADORA1 (0.44) ADORA2BMAP4K4CLK4CDK2SRPK1
SCHEMBL5228041 0.74 ADORA2B (0.51) ADORA3ADORA2BADORA2AALDH1A1ADORA1
SCHEMBL13913513 0.74 ALDH1A1 (0.49) ADORA3ADORA2BADORA2AMAPK10ALDH1A1
SCHEMBL4317695 0.73 ADORA2A (0.52) ADORA3ADORA2BADORA2AALDH1A1ADORA1
SCHEMBL13914324 0.73 PRF1 (0.56) ADORA3ADORA2BADORA2AALDH1A1ADORA1
SCHEMBL13913512 0.73 IKBKB (0.49) ADORA3ADORA2BADORA2AMAP4K4ALDH1A1
SCHEMBL3304663 0.72 ADORA1 (0.45) ALDH1A1ADORA1
SCHEMBL3602052 0.72 ADORA1 (0.58) ADORA3ADORA2BADORA2AALDH1A1ADORA1

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
US-20140155401-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-05 — — US disclosed
US-20140155401-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-05 — — US disclosed
US-8653109-B2 Substituted bipyridine derivatives and their use as adenosine receptor ligands BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-18 — — US disclosed
US-8653109-B2 Substituted bipyridine derivatives and their use as adenosine receptor ligands BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-18 — — US disclosed
US-20100093728-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-15 — — US disclosed
US-20100093728-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-15 — — US disclosed
EP-2066637-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS Bayer HealthCare AG (DE) 2009-06-10 — — EP disclosed
WO-2008028590-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 — — WO disclosed
WO-2008028590-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 — — 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-20100093728-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 ADORA3 3/4885ADORA2B 4/4885ADORA2A 1/4885
US-20140155401-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 ADORA3 3/4885ADORA2B 4/4885ADORA2A 1/4885

“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.

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