SCHEMBL4864869

SCHEMBL4864869

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 15/20 0.36
ADORA2A P29274 12/20 0.36
ADORA1 P30542 9/20 0.36
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
ADORA3 P0DMS8 2/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
AGTR1 P30556 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TLR9 Q9NR96 1/20 0.35
ERN1 O75460 1/20 0.35
CYP1A2 P05177 1/20 0.34

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
SCHEMBL4863904 0.94 ALDH1A1 (0.37) ADORA2BADORA2AADORA1PDE4APDE4B
SCHEMBL4867667 0.88 ADORA2A (0.37) ADORA2BADORA2AADORA1PDE4APDE4B
SCHEMBL4865967 0.88 ADORA2B (0.42) ADORA2BADORA2AADORA1PDE4APDE4B
SCHEMBL4866073 0.84 ADORA2B (0.55) ADORA2BADORA2AADORA1ADORA3NPC1
SCHEMBL4865970 0.82 ADORA2B (0.40) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL4866998 0.82 PARG (0.38) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL4860816 0.82 PARG (0.38) ADORA2BADORA2AADORA1ADORA3NPSR1
SCHEMBL4868539 0.82 ADORA2A (0.36) ADORA2BADORA2AADORA1PDE4APDE4B
SCHEMBL4865964 0.81 ERN1 (0.32) ERN1
SCHEMBL4865956 0.81 RGS4 (0.38) ADORA2BADORA2AADORA1PDE4APDE4B

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.