SCHEMBL4891723

SCHEMBL4891723

O=c1c([N+](=O)[O-])c(-c2cnn(Cc3ccccc3C(F)(F)F)c2)n(CCc2ccccc2)c(=O)n1C1CCC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 16/20 0.42
ADORA2B P29275 2/20 0.41
ADORA1 P30542 2/20 0.41
ADORA2A P29274 1/20 0.41
HSD11B1 P28845 1/20 0.36
ADORA3 P0DMS8 1/20 0.34
DPP4 P27487 1/20 0.34

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
SCHEMBL4867818 0.90 ADORA2B (0.39) ADORA2BADORA1ADORA2AADORA3
SCHEMBL4917944 0.88 ADORA2B (0.50) ADORA2BADORA1ADORA2AADORA3
SCHEMBL4890173 0.88 ADORA2A (0.42) C5AR1ADORA2BADORA1ADORA2AHSD11B1
SCHEMBL4766007 0.86 C5AR1 (0.41) C5AR1ADORA2BADORA1ADORA2AHSD11B1
SCHEMBL4895305 0.84 ADORA2A (0.40) C5AR1ADORA2BADORA1ADORA2AHSD11B1
SCHEMBL4891718 0.84 ADORA2B (0.41) C5AR1ADORA2BADORA1ADORA2AHSD11B1
SCHEMBL4867656 0.83 CACNA1G (0.36) ADORA2BADORA1ADORA2A
SCHEMBL4896993 0.82 ADORA2B (0.48) ADORA2BADORA1ADORA2AADORA3
SCHEMBL4864154 0.81 HSP90AA1 (0.38) ADORA2BADORA1ADORA2A
SCHEMBL4771598 0.80 ADORA2B (0.48) C5AR1ADORA2BADORA1ADORA2AADORA3

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 C5AR1 81/4885ADORA2B 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.