SCHEMBL945560

SCHEMBL945560

C=CC(=O)NCc1cccc(C(S)c2nc(N)c(C#N)c(-c3ccc(NC(C)=O)cc3)n2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.42
ADORA2A P29274 3/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2B P29275 1/20 0.39
MAPK8 P45983 3/20 0.35
MAP4K4 O95819 2/20 0.35
ITK Q08881 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
MAPK9 P45984 2/20 0.35
CHUK O15111 1/20 0.35
PRKD3 O94806 1/20 0.35
CDK2 P24941 1/20 0.35
CLK2 P49760 1/20 0.35
MAPK10 P53779 1/20 0.35
MAP4K2 Q12851 1/20 0.35
PASK Q96RG2 1/20 0.35
SRPK1 Q96SB4 1/20 0.35
MAP4K5 Q9Y4K4 1/20 0.35
DYRK1A Q13627 2/20 0.34
AURKB Q96GD4 2/20 0.34

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
SCHEMBL3741365 0.90 ADORA1 (0.45) ADORA1ADORA2AADORA3ADORA2BMAPK8
SCHEMBL3743152 0.87 ADORA1 (0.45) ADORA1ADORA2AADORA3ADORA2BMAPK8
SCHEMBL27682945 0.84 TGM2 (0.38) ADORA1ADORA2AADORA3ADORA2BMAPK8
SCHEMBL27663340 0.84 ADORA1 (0.43) ADORA1ADORA2AADORA3ADORA2BMAPK8
SCHEMBL950112 0.83 ADORA1 (0.46) ADORA1ADORA2AADORA3ADORA2BMAPK8
SCHEMBL945764 0.83 ADORA1 (0.42) ADORA1ADORA2AADORA3ADORA2BMAPK8
SCHEMBL946658 0.82 ADORA1 (0.44) ADORA1ADORA2AADORA3ADORA2BMAPK8
SCHEMBL3743143 0.82 ADORA2A (0.44) ADORA1ADORA2AADORA3ADORA2BMAPK8
SCHEMBL3737757 0.81 ADORA1 (0.45) ADORA1ADORA2AADORA3ADORA2BMAPK8
Hydrochloric Acid SCHEMBL945957 0.81 ADORA1 (0.45) ADORA1ADORA2AADORA3ADORA2BMAPK8

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989446-B2 4-amino 5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-02 US disclosed
US-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. 2011-01-13 US disclosed
US-7834002-B2 4-amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-07-31 US disclosed
EP-1740574-B1 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2007-06-27 EP disclosed
EP-1740574-A2 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES Otsuka Pharmaceutical Company, Limited (JP) 2007-01-10 EP disclosed
WO-2005105778-A2 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-11-10 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-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives ADORA2A, ADORA1, ADORA3 ADORA1 2/4885ADORA2A 1/4885ADORA3 3/4885
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives ADORA2A, ADORA1, ADORA3 ADORA1 2/4885ADORA2A 1/4885ADORA3 3/4885

“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.