SCHEMBL945968

SCHEMBL945968

CC(=O)Nc1ccc(-c2nc(SCc3cccc(CCN4CCOCC4)n3)nc(N)c2C#N)cc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 14/20 0.69
ADORA2A P29274 2/20 0.69
ADORA2B P29275 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
MOK Q9UQ07 2/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.39
GLA P06280 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL946133 0.95 ADORA1 (0.67) ADORA1ADORA2AADORA2BADORA3MOK
SCHEMBL946673 0.93 ADORA1 (0.64) ADORA1ADORA2AADORA2BADORA3MOK
SCHEMBL945983 0.92 ADORA1 (0.81) ADORA1ADORA2AADORA2BADORA3MOK
Hydrochloric Acid SCHEMBL946388 0.92 ADORA1 (0.81) ADORA1ADORA2AADORA2BADORA3MOK
Hydrochloric Acid SCHEMBL948913 0.87 ADORA1 (0.60) ADORA1ADORA2AADORA2BADORA3MOK
SCHEMBL945688 0.86 ADORA1 (0.83) ADORA1ADORA2AADORA2BADORA3KDM4E
SCHEMBL12359336 0.86 ADORA1 (0.68) ADORA1ADORA2AADORA2BADORA3
SCHEMBL19720077 0.86 ADORA1 (0.64) ADORA1ADORA2AADORA2BADORA3
Hydrochloric Acid SCHEMBL946971 0.85 ADORA1 (0.82) ADORA1ADORA2AADORA2BADORA3KDM4E
SCHEMBL12359397 0.84 ADORA1 (0.68) ADORA1ADORA2AADORA2BADORA3

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 1/4885ADORA2B 4/4885
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives ADORA2A, ADORA1, ADORA3 ADORA1 2/4885ADORA2A 1/4885ADORA2B 4/4885

“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.