SCHEMBL4763504

SCHEMBL4763504

CCCn1c(C)c([N+](=O)[O-])c(=O)n(CCOC)c1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 11/20 0.46
ADORA2A P29274 6/20 0.46
PDE4A P27815 4/20 0.46
PDE4B Q07343 4/20 0.46
PDE4C Q08493 4/20 0.46
PDE4D Q08499 4/20 0.46
ALDH1A1 P00352 1/20 0.37
RGS4 P49798 1/20 0.36
RGS8 P57771 1/20 0.36
GNRHR P30968 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.33
ADORA1 P30542 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
SCHEMBL4771669 0.94 ALDH1A1 (0.41) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL4772714 0.92 ADORA2B (0.39) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL4229116 0.90 ADORA2A (0.40) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL4763151 0.84 ALDH1A1 (0.40) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL4763506 0.82 ADORA2B (0.40) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL4769165 0.81 PDE4A (0.39) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL4058512 0.79 ADORA2A (0.38) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL4058469 0.79 KDM4E (0.42) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL4763502 0.77 TDP1 (0.32) ADORA2BADORA2A
SCHEMBL5741824 0.76 PDE1A (0.47) ADORA2BADORA2AALDH1A1RGS4MAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678181-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2008-12-31 EP disclosed
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 ADORA2B 1/4885ADORA2A 2/4885PDE4A 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.