SCHEMBL4867667

SCHEMBL4867667

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.37
ADORA2B P29275 5/20 0.37
ADORA1 P30542 2/20 0.37
PARG Q86W56 1/20 0.36
PDE4A P27815 8/20 0.36
PDE4B Q07343 8/20 0.36
PDE4C Q08493 8/20 0.36
PDE4D Q08499 8/20 0.36
ERN1 O75460 1/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
GLA P06280 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
APOBEC3G Q9HC16 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
SCHEMBL4868539 0.93 ADORA2A (0.36) ADORA2AADORA2BADORA1PARGPDE4A
SCHEMBL4865956 0.92 RGS4 (0.38) ADORA2AADORA2BADORA1PARGPDE4A
SCHEMBL4864869 0.88 ADORA2B (0.36) ADORA2AADORA2BADORA1PDE4APDE4B
SCHEMBL4863904 0.86 ALDH1A1 (0.37) ADORA2AADORA2BADORA1PARGPDE4A
SCHEMBL4868535 0.86 ALDH1A1 (0.35) ADORA2AADORA2BADORA1PARGPDE4A
SCHEMBL4865967 0.85 ADORA2B (0.42) ADORA2AADORA2BADORA1PARGPDE4A
SCHEMBL4866998 0.85 PARG (0.38) ADORA2AADORA2BPARGPDE4APDE4B
SCHEMBL4865970 0.85 ADORA2B (0.40) ADORA2AADORA2BPARGPDE4APDE4B
SCHEMBL4868526 0.84 ADORA2B (0.50) ADORA2AADORA2BADORA1PDE4APDE4B
SCHEMBL4860816 0.82 PARG (0.38) ADORA2AADORA2BADORA1PARGERN1

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 ADORA2A 2/4885ADORA2B 1/4885ADORA1 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.