SCHEMBL945707

SCHEMBL945707

CC(=O)Nc1ccc(-c2nc(SCc3cccc(CN4CCN(C(=O)CN5CCN(C)CC5)CC4)n3)nc(N)c2C#N)cc1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 15/20 0.70
ADORA2A P29274 3/20 0.70
ADORA3 P0DMS8 2/20 0.39
ADORA2B P29275 2/20 0.39
IRAK4 Q9NWZ3 1/20 0.35
NAMPT P43490 1/20 0.34
PDE4B Q07343 1/20 0.34

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 SCHEMBL946482 0.99 ADORA1 (0.69) ADORA1ADORA2AADORA3ADORA2BIRAK4
SCHEMBL12359336 0.94 ADORA1 (0.68) ADORA1ADORA2AADORA3ADORA2BPDE4B
Hydrochloric Acid SCHEMBL945489 0.94 ADORA1 (0.67) ADORA1ADORA2AADORA3ADORA2B
SCHEMBL946132 0.89 ADORA1 (0.81) ADORA1ADORA2AADORA3ADORA2BPDE4B
Hydrochloric Acid SCHEMBL947172 0.89 ADORA1 (0.70) ADORA1ADORA2AADORA3ADORA2BPDE4B
Hydrochloric Acid SCHEMBL947480 0.88 ADORA1 (0.73) ADORA1ADORA2AADORA3ADORA2B
SCHEMBL947289 0.87 ADORA1 (0.66) ADORA1ADORA2AADORA3ADORA2BPDE4B
SCHEMBL945445 0.87 ADORA1 (0.73) ADORA1ADORA2AADORA3ADORA2BPDE4B
SCHEMBL945622 0.87 ADORA1 (0.65) ADORA1ADORA2AADORA3ADORA2BPDE4B
SCHEMBL945335 0.86 ADORA1 (0.77) ADORA1ADORA2AADORA3ADORA2BPDE4B

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 10 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 claimed
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-07-31 US claimed
EP-1740574-B1 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2007-06-27 EP claimed
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 1/4885ADORA3 3/4885
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.