SCHEMBL4766186

SCHEMBL4766186

CCCCn1c(=O)[nH]c(C)c([N+](=O)[O-])c1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 6/20 0.43
PDE4A P27815 2/20 0.43
ADORA2A P29274 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GLA P06280 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38

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
SCHEMBL4767502 0.91 ADORA2B (0.40) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL4769800 0.84 ALDH1A1 (0.42) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL4772758 0.77 ADORA2B (0.50) ADORA2BADORA3KMT2AMEN1MAPT
SCHEMBL4771513 0.77 KDM4E (0.42) ADORA2BADORA2AKMT2AMEN1TDP1
SCHEMBL4772721 0.76 ADORA2B (0.36) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL4762675 0.75 PKM (0.53) ADORA2BADORA2AADORA3KMT2AMEN1
SCHEMBL4769165 0.75 PDE4A (0.39) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL18921074 0.74 ADORA2B (0.47) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL8098649 0.74 MAPT (0.55) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL4767722 0.74 PDE4A (0.40) PDE4AADORA2APDE4BPDE4CPDE4D

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 1/4885PDE4A 182/4885ADORA2A 2/4885

“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.