SCHEMBL3737757

SCHEMBL3737757

CC(=O)Nc1ccc(-c2nc(C(S)c3cccc(CCC(=O)NCCNC(=O)O)n3)nc(N)c2C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.45
ADORA2A P29274 4/20 0.45
ADORA3 P0DMS8 1/20 0.38
ADORA2B P29275 1/20 0.38
MAP4K4 O95819 2/20 0.36
MAPK8 P45983 2/20 0.36
ITK Q08881 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
CHUK O15111 2/20 0.36
PRKD3 O94806 1/20 0.36
CDK2 P24941 1/20 0.36
MAPK9 P45984 1/20 0.36
CLK2 P49760 1/20 0.36
MAPK10 P53779 1/20 0.36
MAP4K2 Q12851 1/20 0.36
PASK Q96RG2 1/20 0.36
SRPK1 Q96SB4 1/20 0.36
MAP4K5 Q9Y4K4 1/20 0.36
IKBKB O14920 7/20 0.36
ROS1 P08922 1/20 0.33

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
Hydrochloric Acid SCHEMBL945957 0.92 ADORA1 (0.45) ADORA1ADORA2AADORA3ADORA2BMAP4K4
SCHEMBL945978 0.91 ADORA1 (0.47) ADORA1ADORA2AADORA3ADORA2BMAP4K4
Hydrochloric Acid SCHEMBL948352 0.90 ADORA1 (0.47) ADORA1ADORA2AADORA3ADORA2BMAP4K4
SCHEMBL945760 0.90 ADORA1 (0.56) ADORA1ADORA2AADORA3ADORA2BMAP4K4
SCHEMBL5502415 0.90 ADORA1 (0.47) ADORA1ADORA2AADORA3ADORA2BMAP4K4
Hydrochloric Acid SCHEMBL946972 0.89 ADORA1 (0.55) ADORA1ADORA2AADORA3ADORA2BMAP4K4
SCHEMBL3741365 0.89 ADORA1 (0.45) ADORA1ADORA2AADORA3ADORA2BMAP4K4
SCHEMBL946228 0.89 ADORA1 (0.45) ADORA1ADORA2AADORA3ADORA2BMAP4K4
Hydrochloric Acid SCHEMBL946906 0.87 ADORA1 (0.45) ADORA1ADORA2AADORA3ADORA2BMAP4K4
SCHEMBL950112 0.87 ADORA1 (0.46) ADORA1ADORA2AADORA3ADORA2BMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-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.