SCHEMBL945816

SCHEMBL945816

CC(=O)Nc1ccc(-c2nc(C(S)c3cccc(CCC(=O)NC(C)N4CCCCC4)n3)nc(N)c2C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.45
ADORA2A P29274 2/20 0.45
IKBKB O14920 12/20 0.39
ADORA3 P0DMS8 1/20 0.36
ADORA2B P29275 1/20 0.36
CHUK O15111 2/20 0.35
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
CDK2 P24941 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
CLK2 P49760 1/20 0.33
MAPK10 P53779 1/20 0.33
ITK Q08881 1/20 0.33
MAP4K2 Q12851 1/20 0.33
PASK Q96RG2 1/20 0.33
SRPK1 Q96SB4 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
MAP4K5 Q9Y4K4 1/20 0.33
ABCC1 P33527 1/20 0.32

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 SCHEMBL3740316 0.99 ADORA1 (0.44) ADORA1ADORA2AIKBKBADORA3ADORA2B
SCHEMBL5499490 0.85 ADORA1 (0.47) ADORA1ADORA2AIKBKBADORA3ADORA2B
SCHEMBL945819 0.84 ADORA1 (0.62) ADORA1ADORA2AIKBKBADORA3ADORA2B
Hydrochloric Acid SCHEMBL946096 0.84 ADORA1 (0.47) ADORA1ADORA2AIKBKBADORA3ADORA2B
Hydrochloric Acid SCHEMBL3740320 0.84 ADORA1 (0.61) ADORA1ADORA2AIKBKBADORA3ADORA2B
SCHEMBL950112 0.84 ADORA1 (0.46) ADORA1ADORA2AIKBKBADORA3ADORA2B
SCHEMBL3737757 0.83 ADORA1 (0.45) ADORA1ADORA2AIKBKBADORA3ADORA2B
Hydrochloric Acid SCHEMBL945957 0.83 ADORA1 (0.45) ADORA1ADORA2AIKBKBADORA3ADORA2B
SCHEMBL27663322 0.83 ADORA1 (0.58) ADORA1ADORA2AIKBKBADORA3ADORA2B
SCHEMBL3743152 0.82 ADORA1 (0.45) ADORA1ADORA2AIKBKBADORA3ADORA2B

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 2 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 claimed
US-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. 2011-01-13 US claimed

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-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives ADORA2A, ADORA1, ADORA3 ADORA1 2/4885ADORA2A 1/4885IKBKB 2492/4885

“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.