SCHEMBL4064541

SCHEMBL4064541

Cn1c(-c2ccc(O)cc2)nc2c(NC3CCCC3)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 20/20 1.00
ADORA1 P30542 20/20 1.00
ADORA2A P29274 19/20 1.00
ADORA2B P29275 11/20 1.00

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
SCHEMBL4055872 0.91 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL4060539 0.88 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL4055590 0.88 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL4066022 0.88 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL4055765 0.87 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL4057892 0.86 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL4055419 0.86 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL4053638 0.83 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL4056599 0.81 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL4061927 0.80 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2B

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517888-B2 e.g. cyclopentyl(9-ethyl-8-phenylpurin-6-yl)amine; diuretic; heart failure, chronic renal disease, cirrhosis CV THERAPEUTICS, INC. (US) 2009-04-14 US claimed
EP-1751159-A2 PURINE DERIVATIVES AS A1 ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2007-02-14 EP claimed
WO-2005105803-A2 PURINE DERIVATIVES AS A1 ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2005-11-10 WO claimed
US-20050245546-A1 A1 adenosine receptor antagonists CV THERAPEUTICS, INC. 2005-11-03 US claimed
US-7517888-B2 e.g. cyclopentyl(9-ethyl-8-phenylpurin-6-yl)amine; diuretic; heart failure, chronic renal disease, cirrhosis CV THERAPEUTICS, INC. (US) 2009-04-14 US disclosed
EP-1751159-A2 PURINE DERIVATIVES AS A1 ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2007-02-14 EP disclosed
WO-2005105803-A2 PURINE DERIVATIVES AS A1 ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2005-11-10 WO disclosed
US-20050245546-A1 A1 adenosine receptor antagonists CV THERAPEUTICS, INC. 2005-11-03 US 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 (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-20050245546-A1 A1 adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 ADORA3 3/4885ADORA1 1/4885ADORA2A 2/4885

“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.