SCHEMBL4863923

SCHEMBL4863923

CCCn1c(-c2cnn(-c3ccccc3)c2)c([N+](=O)[O-])c(=O)n(CCOC)c1=O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.51
ADORA2B P29275 13/20 0.51
ADORA1 P30542 9/20 0.51
HSP90AA1 P07900 1/20 0.40
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
ADORA3 P0DMS8 4/20 0.37
GRM4 Q14833 2/20 0.36
ALDH1A1 P00352 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
SCHEMBL4866210 0.96 ADORA2B (0.45) ADORA2AADORA2BADORA1HSP90AA1GRM4
SCHEMBL4865556 0.95 ADORA2A (0.45) ADORA2AADORA2BADORA1HSP90AA1ADORA3
SCHEMBL4866073 0.89 ADORA2B (0.55) ADORA2AADORA2BADORA1HSP90AA1ADORA3
SCHEMBL4863931 0.88 ADORA2A (0.44) ADORA2AADORA2BADORA1HSP90AA1ADORA3
SCHEMBL4868526 0.88 ADORA2B (0.50) ADORA2AADORA2BADORA1HSP90AA1PDE4A
SCHEMBL4865967 0.85 ADORA2B (0.42) ADORA2AADORA2BADORA1PDE4APDE4B
SCHEMBL4863917 0.85 ADORA2B (0.46) ADORA2AADORA2BADORA1HSP90AA1ADORA3
SCHEMBL4863501 0.83 HSP90AA1 (0.46) ADORA2AADORA2BADORA1HSP90AA1PDE4A
SCHEMBL4859903 0.82 HSP90AA1 (0.44) ADORA2AADORA2BADORA1HSP90AA1ADORA3
SCHEMBL4765287 0.82 ADORA2A (0.42) ADORA2AADORA2BADORA1PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1678181-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-07-12 EP disclosed
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 US disclosed
WO-2005042534-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2005-05-12 WO 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.