SCHEMBL4866210

SCHEMBL4866210

COCCn1c(-c2cnn(-c3ccccc3)c2)c([N+](=O)[O-])c(=O)n(CCOC)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 7/20 0.45
ADORA2A P29274 3/20 0.45
ADORA1 P30542 3/20 0.45
HSP90AA1 P07900 1/20 0.43
GRM4 Q14833 3/20 0.38
ALDH1A1 P00352 6/20 0.38
CASP7 P55210 2/20 0.36
NSD2 O96028 1/20 0.36
IDO1 P14902 1/20 0.36
CRHBP P24387 1/20 0.36
TDO2 P48775 1/20 0.36
CASP6 P55212 1/20 0.36
CRHR2 Q13324 1/20 0.36
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 3/20 0.35
HSD17B10 Q99714 3/20 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
SCHEMBL4863923 0.96 ADORA2A (0.51) ADORA2BADORA2AADORA1HSP90AA1GRM4
SCHEMBL4865556 0.94 ADORA2A (0.45) ADORA2BADORA2AADORA1HSP90AA1GRM4
SCHEMBL4863931 0.90 ADORA2A (0.44) ADORA2BADORA2AADORA1HSP90AA1GRM4
SCHEMBL4868526 0.87 ADORA2B (0.50) ADORA2BADORA2AADORA1HSP90AA1GRM4
SCHEMBL4859903 0.86 HSP90AA1 (0.44) ADORA2BADORA2AADORA1HSP90AA1GRM4
SCHEMBL4866073 0.85 ADORA2B (0.55) ADORA2BADORA2AADORA1HSP90AA1ALDH1A1
SCHEMBL4863501 0.84 HSP90AA1 (0.46) ADORA2BADORA2AADORA1HSP90AA1GRM4
SCHEMBL4866998 0.84 PARG (0.38) ADORA2BADORA2AALDH1A1MAPK1CYP1A2
SCHEMBL4866000 0.82 HSP90AA1 (0.47) ADORA2BADORA2AADORA1HSP90AA1GRM4
SCHEMBL4868365 0.82 ADORA3 (0.41) ADORA2BADORA2AADORA1HSP90AA1GRM4

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 1/4885ADORA2A 2/4885ADORA1 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.