SCHEMBL4764040

SCHEMBL4764040

CC(C)Cn1c(=O)n(CCc2ccccc2)c(=O)c2[nH]c(-c3cnn(-c4ccccc4)c3)cc21

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 19/20 0.52
ADORA2A P29274 18/20 0.52
ADORA1 P30542 12/20 0.52
ADORA3 P0DMS8 7/20 0.48

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
SCHEMBL4765720 0.92 ADORA2A (0.55) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4762531 0.92 ADORA2B (0.52) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4771508 0.90 ADORA2B (0.50) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4762331 0.86 ADORA2B (0.54) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4764038 0.83 ADORA2B (0.44) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4767718 0.82 ADORA2B (0.55) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4765122 0.82 ADORA2B (0.58) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4771486 0.81 ADORA2A (0.62) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4763899 0.81 ADORA2A (0.67) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4769743 0.81 ADORA2B (0.58) ADORA2BADORA2AADORA1ADORA3

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.