SCHEMBL4765720

SCHEMBL4765720

O=c1c2[nH]c(-c3cnn(-c4ccccc4)c3)cc2n(CCc2ccccc2)c(=O)n1CCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 17/20 0.55
ADORA2B P29275 17/20 0.55
ADORA1 P30542 8/20 0.55
ADORA3 P0DMS8 4/20 0.54
SIRT1 Q96EB6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41

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
SCHEMBL4764040 0.92 ADORA2B (0.52) ADORA2AADORA2BADORA1ADORA3
SCHEMBL4765122 0.88 ADORA2B (0.58) ADORA2AADORA2BADORA1ADORA3SIRT1
SCHEMBL4771486 0.87 ADORA2A (0.62) ADORA2AADORA2BADORA1ADORA3
SCHEMBL4771400 0.86 ADORA2B (0.42) ADORA2AADORA2BADORA1ADORA3
SCHEMBL4765375 0.86 ADORA2B (0.56) ADORA2AADORA2BADORA1ADORA3
SCHEMBL4763899 0.85 ADORA2A (0.67) ADORA2AADORA2BADORA1ADORA3
SCHEMBL4769743 0.84 ADORA2B (0.58) ADORA2AADORA2BADORA1ADORA3
SCHEMBL4769286 0.83 ADORA2A (0.62) ADORA2AADORA2BADORA1ADORA3
SCHEMBL4769722 0.82 ADORA2B (0.48) ADORA2AADORA2BADORA1ADORA3
SCHEMBL4762531 0.82 ADORA2B (0.52) ADORA2AADORA2BADORA1ADORA3

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 ADORA2A 2/4885ADORA2B 1/4885ADORA1 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.