SCHEMBL4866971

SCHEMBL4866971

COc1ccc(Cn2c(-c3cnn(Cc4ccccc4F)c3)c([N+](=O)[O-])c(=O)n(Cc3ccc(OC)cc3)c2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 4/20 0.44
ADORA2A P29274 3/20 0.44
ADORA1 P30542 3/20 0.44
MAPT P10636 4/20 0.42
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GNRHR P30968 1/20 0.39
DCTPP1 Q9H773 3/20 0.38
GABRA5 P31644 1/20 0.38
ALDH1A1 P00352 3/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL4866686 0.99 MAPT (0.44) ADORA2BADORA2AADORA1MAPTTP53
SCHEMBL4867838 0.93 ADORA2B (0.40) ADORA2BADORA2AADORA1MAPTTP53
SCHEMBL4889396 0.93 ADORA2B (0.43) ADORA2BADORA2AADORA1MAPTTP53
SCHEMBL4862734 0.91 MAPT (0.44) ADORA2BADORA2AADORA1MAPTTP53
SCHEMBL4866693 0.90 ADORA2A (0.38) ADORA2BADORA2AADORA1MAPTTP53
SCHEMBL4904896 0.89 NPBWR1 (0.47) ADORA2BADORA2AADORA1DCTPP1GABRA5
SCHEMBL4867853 0.88 MAPT (0.42) MAPTTP53SMN1; SMN2GNRHRDCTPP1
SCHEMBL4864902 0.88 ADORA2B (0.49) ADORA2BADORA2AADORA1MAPTTP53
SCHEMBL4866634 0.88 ADORA2B (0.45) ADORA2BADORA2AADORA1MAPTTP53
SCHEMBL4861931 0.85 ADORA2B (0.51) ADORA2BADORA2AADORA1MAPTALDH1A1

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 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.