SCHEMBL4866073

SCHEMBL4866073

CCCn1c(=O)c([N+](=O)[O-])c(-c2cnn(-c3ccccc3)c2)n(CC)c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 13/20 0.55
ADORA2A P29274 12/20 0.55
ADORA1 P30542 10/20 0.55
HSP90AA1 P07900 1/20 0.43
ADORA3 P0DMS8 5/20 0.43
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
AGTR1 P30556 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TLR9 Q9NR96 1/20 0.40
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL4863501 0.94 HSP90AA1 (0.46) ADORA2BADORA2AADORA1HSP90AA1ADORA3
SCHEMBL4868526 0.90 ADORA2B (0.50) ADORA2BADORA2AADORA1HSP90AA1ADORA3
SCHEMBL4863923 0.89 ADORA2A (0.51) ADORA2BADORA2AADORA1HSP90AA1ADORA3
SCHEMBL4866210 0.85 ADORA2B (0.45) ADORA2BADORA2AADORA1HSP90AA1ALDH1A1
SCHEMBL4863931 0.85 ADORA2A (0.44) ADORA2BADORA2AADORA1HSP90AA1ADORA3
SCHEMBL4859903 0.84 HSP90AA1 (0.44) ADORA2BADORA2AADORA1HSP90AA1ADORA3
SCHEMBL4865556 0.84 ADORA2A (0.45) ADORA2BADORA2AADORA1HSP90AA1ADORA3
SCHEMBL4864869 0.84 ADORA2B (0.36) ADORA2BADORA2AADORA1ADORA3ALDH1A1
SCHEMBL4866844 0.84 ADORA1 (0.44) ADORA2BADORA2AADORA1HSP90AA1ADORA3
SCHEMBL4863917 0.84 ADORA2B (0.46) ADORA2BADORA2AADORA1HSP90AA1ADORA3

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.