SCHEMBL946933

SCHEMBL946933

CC(=O)Nc1ccc(-c2nc(C(S)c3cccc(CNC(=O)CCN4CCC(N5CCCCC5)CC4)n3)nc(N)c2C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.44
ADORA2A P29274 2/20 0.44
IKBKB O14920 11/20 0.44
CHUK O15111 1/20 0.40
HRH3 Q9Y5N1 2/20 0.34
NPC1 O15118 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
GRIN2B Q13224 1/20 0.34
TERT O14746 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2B P29275 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
SCHEMBL946931 0.86 ADORA1 (0.61) ADORA1ADORA2AIKBKBCHUKHRH3
SCHEMBL3741365 0.83 ADORA1 (0.45) ADORA1ADORA2AIKBKBCHUKADORA3
SCHEMBL946045 0.81 ADORA1 (0.44) ADORA1ADORA2AIKBKBCHUKHRH3
Hydrochloric Acid SCHEMBL946414 0.80 ADORA1 (0.44) ADORA1ADORA2AIKBKBCHUKHRH3
SCHEMBL3737757 0.79 ADORA1 (0.45) ADORA1ADORA2AIKBKBCHUKADORA3
SCHEMBL945816 0.79 ADORA1 (0.45) ADORA1ADORA2AIKBKBCHUKADORA3
SCHEMBL945560 0.79 ADORA1 (0.42) ADORA1ADORA2AIKBKBCHUKADORA3
SCHEMBL27663322 0.79 ADORA1 (0.58) ADORA1ADORA2AIKBKBCHUKTERT
Hydrochloric Acid SCHEMBL3740316 0.79 ADORA1 (0.44) ADORA1ADORA2AIKBKBCHUKADORA3
SCHEMBL3743152 0.79 ADORA1 (0.45) ADORA1ADORA2AIKBKBCHUKADORA3

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 5 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

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 1/4885IKBKB 2492/4885
US-20080182854-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.