SCHEMBL945754

SCHEMBL945754

CCC(=O)Nc1ccc(-c2nc(SCc3cccc(C)n3)nc(N)c2C#N)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 10/20 0.55
ADORA2A P29274 2/20 0.54
PDE4B Q07343 8/20 0.43
ADORA3 P0DMS8 1/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL946417 0.93 ADORA1 (0.55) ADORA1ADORA2APDE4BADORA3
SCHEMBL3738154 0.92 ADORA1 (0.57) ADORA1ADORA2APDE4BADORA3
SCHEMBL946703 0.91 ADORA1 (0.65) ADORA1ADORA2APDE4BADORA3
SCHEMBL950183 0.88 ADORA1 (0.53) ADORA1ADORA2APDE4BADORA3
SCHEMBL946066 0.88 ADORA1 (0.53) ADORA1ADORA2APDE4BADORA3
SCHEMBL946966 0.84 ADORA1 (0.52) ADORA1ADORA2APDE4BADORA3
SCHEMBL950184 0.82 ADORA1 (0.73) ADORA1ADORA2APDE4BADORA3NPC1
SCHEMBL949863 0.82 ADORA1 (0.65) ADORA1ADORA2APDE4BADORA3
SCHEMBL947600 0.82 ADORA1 (0.68) ADORA1ADORA2APDE4BADORA3
SCHEMBL3743139 0.81 ADORA1 (0.67) ADORA1ADORA2APDE4BADORA3

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 1/4885PDE4B 40/4885
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives ADORA2A, ADORA1, ADORA3 ADORA1 2/4885ADORA2A 1/4885PDE4B 40/4885

“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.