SCHEMBL4762597

SCHEMBL4762597

CC(c1ccccc1)n1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4C(F)(F)F)c3)cc2n(C(C)c2ccccc2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 20/20 0.51
ADORA1 P30542 15/20 0.51
ADORA2A P29274 13/20 0.51
ADORA3 P0DMS8 7/20 0.39

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
SCHEMBL4769534 0.91 ADORA2B (0.49) ADORA2BADORA1ADORA2AADORA3
SCHEMBL4769012 0.89 ADORA2B (0.49) ADORA2BADORA1ADORA2AADORA3
SCHEMBL4771107 0.89 ADORA2B (0.49) ADORA2BADORA1ADORA2AADORA3
SCHEMBL4771591 0.89 ADORA2B (0.45) ADORA2BADORA1ADORA2AADORA3
SCHEMBL4762400 0.87 ADORA2B (0.51) ADORA2BADORA1ADORA2AADORA3
SCHEMBL4762529 0.81 ADORA2B (0.58) ADORA2BADORA1ADORA2AADORA3
SCHEMBL4767714 0.80 ADORA2B (0.47) ADORA2BADORA1ADORA2AADORA3
SCHEMBL4763136 0.80 ADORA2B (0.63) ADORA2BADORA1ADORA2AADORA3
SCHEMBL4789801 0.80 ADORA2B (0.59) ADORA2BADORA1ADORA2AADORA3
SCHEMBL4917939 0.80 ADORA2B (0.46) ADORA2BADORA1ADORA2AADORA3

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 1/4885ADORA1 4/4885ADORA2A 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.