SCHEMBL4771497

SCHEMBL4771497

CC(C)Cn1c(=O)n(C(C)c2ccccc2)c(=O)c2[nH]c(-c3cnn(C)c3)cc21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 12/20 0.43
ADORA2A P29274 9/20 0.43
ADORA1 P30542 5/20 0.43
ADORA3 P0DMS8 5/20 0.43
PDE9A O76083 1/20 0.40
EGFR P00533 1/20 0.38
CREBBP Q92793 2/20 0.37
PARG Q86W56 2/20 0.37
NR3C2 P08235 1/20 0.36

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
SCHEMBL4764038 0.89 ADORA2B (0.44) ADORA2BADORA2AADORA1ADORA3PDE9A
SCHEMBL4765115 0.88 ADORA2A (0.44) ADORA2BADORA2AADORA1ADORA3PDE9A
SCHEMBL4771181 0.84 ADORA2B (0.46) ADORA2BADORA2AADORA1ADORA3PDE9A
SCHEMBL4767714 0.84 ADORA2B (0.47) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4771508 0.83 ADORA2B (0.50) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4769534 0.82 ADORA2B (0.49) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4763154 0.78 BTK (0.40) ADORA2BADORA2AADORA1ADORA3PDE9A
SCHEMBL4762252 0.77 ADORA2B (0.43) ADORA2BADORA2AADORA1ADORA3PDE9A
SCHEMBL4763972 0.77 PDE9A (0.54) ADORA2BADORA2AADORA1ADORA3PDE9A
SCHEMBL4762531 0.77 ADORA2B (0.52) ADORA2BADORA2AADORA1ADORA3PDE9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678181-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2008-12-31 EP disclosed
US-7449473-B2 Substituted pyrrolo[3,2-d]pyrimidin-2,4-diones as A2b adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2008-11-11 US disclosed
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 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-20050119287-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA3 ADORA2B 1/4885ADORA2A 2/4885ADORA1 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.