SCHEMBL4894064

SCHEMBL4894064

COc1ccc(Cn2c(=O)c([N+](=O)[O-])c(-c3cnn(Cc4ccccc4C(F)(F)F)c3)n(Cc3ccoc3)c2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 6/20 0.42
ADORA1 P30542 4/20 0.42
ADORA2A P29274 3/20 0.42
NPBWR1 P48145 1/20 0.41
CMA1 P23946 2/20 0.35
GABRA5 P31644 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ADORA3 P0DMS8 2/20 0.33
DCTPP1 Q9H773 1/20 0.33
KLKB1 P03952 2/20 0.33
SCD5 Q86SK9 1/20 0.33

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
SCHEMBL4904896 0.93 NPBWR1 (0.47) ADORA2BADORA1ADORA2ANPBWR1CMA1
SCHEMBL4908302 0.93 ADORA2B (0.45) ADORA2BADORA1ADORA2ATDP1ADORA3
SCHEMBL4867838 0.91 ADORA2B (0.40) ADORA2BADORA1ADORA2AGABRA5ADORA3
SCHEMBL4897242 0.90 ADORA2B (0.42) ADORA2BADORA1ADORA2ATDP1ADORA3
SCHEMBL4889396 0.89 ADORA2B (0.43) ADORA2BADORA1ADORA2ANPBWR1CMA1
SCHEMBL4791799 0.88 NPBWR1 (0.40) ADORA2BADORA1ADORA2ANPBWR1CMA1
SCHEMBL4791802 0.88 NPBWR1 (0.40) ADORA2BADORA1ADORA2ANPBWR1CMA1
SCHEMBL4889399 0.84 NPBWR1 (0.41) ADORA2BADORA1ADORA2ANPBWR1CMA1
SCHEMBL4866971 0.83 ADORA2B (0.44) ADORA2BADORA1ADORA2AGABRA5TDP1
SCHEMBL4866686 0.82 MAPT (0.44) ADORA2BADORA1ADORA2AGABRA5DCTPP1

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 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.