SCHEMBL4904896

SCHEMBL4904896

COc1ccc(Cn2c(-c3cnn(Cc4ccccc4C(F)(F)F)c3)c([N+](=O)[O-])c(=O)n(Cc3ccc(OC)cc3)c2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.47
ADORA2B P29275 5/20 0.46
ADORA2A P29274 3/20 0.46
ADORA1 P30542 3/20 0.46
CMA1 P23946 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
DCTPP1 Q9H773 3/20 0.37
GABRA5 P31644 1/20 0.36
P2RX7 Q99572 1/20 0.36
KLKB1 P03952 1/20 0.36
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 1/20 0.35

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
SCHEMBL4889396 0.95 ADORA2B (0.43) NPBWR1ADORA2BADORA2AADORA1CMA1
SCHEMBL4894064 0.93 ADORA2B (0.42) NPBWR1ADORA2BADORA2AADORA1CMA1
SCHEMBL4889399 0.90 NPBWR1 (0.41) NPBWR1ADORA2BADORA2AADORA1CMA1
SCHEMBL4866971 0.89 ADORA2B (0.44) ADORA2BADORA2AADORA1TDP1DCTPP1
SCHEMBL4866686 0.88 MAPT (0.44) ADORA2BADORA2AADORA1DCTPP1GABRA5
SCHEMBL4900650 0.88 ADORA2B (0.47) NPBWR1ADORA2BADORA2AADORA1TDP1
SCHEMBL4762462 0.86 NPBWR1 (0.44) NPBWR1ADORA2BADORA2AADORA1CMA1
SCHEMBL4762538 0.86 NPBWR1 (0.44) NPBWR1ADORA2BADORA2AADORA1CMA1
SCHEMBL4891672 0.85 ADORA2B (0.53) ADORA2BADORA2AADORA1TDP1
SCHEMBL4913088 0.85 ADORA2B (0.51) NPBWR1ADORA2BADORA2AADORA1TDP1

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 2 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
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 NPBWR1 203/4885ADORA2B 1/4885ADORA2A 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.