SCHEMBL4866844

SCHEMBL4866844

CCCCn1c(-c2cnn(-c3ccccc3)c2)c([N+](=O)[O-])c(=O)n(CC(C)C)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 11/20 0.44
ADORA2A P29274 10/20 0.44
ADORA2B P29275 10/20 0.44
HSP90AA1 P07900 1/20 0.42
ADORA3 P0DMS8 4/20 0.39
KDM5B Q9UGL1 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
RGS4 P49798 1/20 0.33
RGS8 P57771 1/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
AGTR1 P30556 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL4868526 0.93 ADORA2B (0.50) ADORA1ADORA2AADORA2BHSP90AA1ADORA3
SCHEMBL4866000 0.91 HSP90AA1 (0.47) ADORA1ADORA2AADORA2BHSP90AA1ADORA3
SCHEMBL4865556 0.87 ADORA2A (0.45) ADORA1ADORA2AADORA2BHSP90AA1ADORA3
SCHEMBL4868140 0.86 ADORA1 (0.42) ADORA1ADORA2AADORA2BHSP90AA1ADORA3
SCHEMBL4868150 0.85 HSP90AA1 (0.43) ADORA1ADORA2AADORA2BHSP90AA1ADORA3
SCHEMBL4865553 0.85 ADORA2B (0.45) ADORA1ADORA2AADORA2BHSP90AA1ADORA3
SCHEMBL4865956 0.85 RGS4 (0.38) ADORA1ADORA2AADORA2BADORA3LMNA
SCHEMBL4866073 0.84 ADORA2B (0.55) ADORA1ADORA2AADORA2BHSP90AA1ADORA3
SCHEMBL4863501 0.83 HSP90AA1 (0.46) ADORA1ADORA2AADORA2BHSP90AA1ADORA3
SCHEMBL4863931 0.83 ADORA2A (0.44) ADORA1ADORA2AADORA2BHSP90AA1ADORA3

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 ADORA1 4/4885ADORA2A 2/4885ADORA2B 1/4885

“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.