SCHEMBL4868539

SCHEMBL4868539

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.36
ADORA2B P29275 5/20 0.36
PDE4A P27815 5/20 0.36
PDE4B Q07343 5/20 0.36
PDE4C Q08493 5/20 0.36
PDE4D Q08499 5/20 0.36
ALDH1A1 P00352 4/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
PARG Q86W56 5/20 0.35
ADORA1 P30542 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32

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
SCHEMBL4865967 0.94 ADORA2B (0.42) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL4866998 0.94 PARG (0.38) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL4867667 0.93 ADORA2A (0.37) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL4865970 0.89 ADORA2B (0.40) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL4865556 0.86 ADORA2A (0.45) ADORA2AADORA2BALDH1A1LMNAKMT2A
SCHEMBL4865956 0.85 RGS4 (0.38) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL4868535 0.84 ALDH1A1 (0.35) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL4866181 0.82 ADORA2B (0.49) ADORA2AADORA2BALDH1A1LMNAKMT2A
SCHEMBL4864869 0.82 ADORA2B (0.36) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL4769729 0.81 NCOA1 (0.44) ADORA2AADORA2BPDE4APDE4BPDE4C

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 ADORA2A 2/4885ADORA2B 1/4885PDE4A 182/4885

“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.