SCHEMBL4767937

SCHEMBL4767937

Cc1c([N+](=O)[O-])c(=O)n(Cc2ccncc2)c(=O)n1CC1CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.46
PDE5A O76074 7/20 0.46
PDE4B Q07343 7/20 0.46
PDE4C Q08493 7/20 0.46
PDE4D Q08499 7/20 0.46
ADORA3 P0DMS8 6/20 0.37
ADORA2A P29274 1/20 0.37
HSPD1 P10809 1/20 0.36
HSPE1 P61604 1/20 0.36
POLB P06746 1/20 0.36
GNRHR P30968 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL4766006 0.88 PDE4A (0.44) PDE4AADORA3HSPD1HSPE1POLB
SCHEMBL4765718 0.86 PDE4D (0.46) PDE4APDE5APDE4BPDE4CPDE4D
SCHEMBL4767673 0.84 PDE5A (0.53) PDE4APDE5APDE4BPDE4CPDE4D
SCHEMBL4762551 0.82 PDE5A (0.40) PDE4APDE5APDE4BPDE4CPDE4D
SCHEMBL4769688 0.81 PDE4A (0.40) PDE4AADORA3ADORA2AHSPD1HSPE1
SCHEMBL4765601 0.81 PDE4A (0.40) PDE4AHSPD1HSPE1POLBMEN1
SCHEMBL4771305 0.81 HTT (0.44) PDE4AHSPD1HSPE1POLBMEN1
SCHEMBL4767817 0.79 PARG (0.38) PDE4APDE5APDE4BPDE4CPDE4D
SCHEMBL4766012 0.79 PDE4A (0.38) PDE4AADORA3HSPD1HSPE1POLB
SCHEMBL4771453 0.77 ADORA3 (0.44) PDE4APDE5APDE4BPDE4CPDE4D

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 3 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
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 PDE4A 182/4885PDE5A 736/4885PDE4B 131/4885

“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.