SCHEMBL7863535

SCHEMBL7863535

[C-]#[N+]c1cnc(Oc2ccc3c(c2)COB3O)nc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.56
PDE4A P27815 12/20 0.56
PDE4C Q08493 12/20 0.56
PDE4D Q08499 12/20 0.56
PDE1A P54750 2/20 0.52
PDE7A Q13946 2/20 0.52
CHRM1 P11229 1/20 0.52
ADRA1A P35348 1/20 0.52
PDE3B Q13370 1/20 0.52
PDE3A Q14432 1/20 0.52
PDE1B Q01064 1/20 0.45

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
SCHEMBL7857182 0.85 PDE4B (0.67) PDE4BPDE4APDE4CPDE4DPDE1A
SCHEMBL7864520 0.85 PDE4B (0.69) PDE4BPDE4APDE4CPDE4DPDE1A
SCHEMBL7857068 0.84 PDE4B (0.70) PDE4BPDE4APDE4CPDE4DPDE1A
SCHEMBL7868234 0.83 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPDE1A
SCHEMBL11993050 0.83 PDE4B (0.54) PDE4BPDE4APDE4CPDE4DPDE1A
SCHEMBL11993046 0.82 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DPDE1A
SCHEMBL7995291 0.81 PDE4B (0.75) PDE4BPDE4APDE4CPDE4DPDE1A
SCHEMBL18595962 0.81 PDE4B (0.71) PDE4BPDE4APDE4CPDE4DPDE1A
SCHEMBL7862946 0.81 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DPDE1A
SCHEMBL10172382 0.81 PDE4B (0.69) PDE4BPDE4APDE4CPDE4DPDE1A

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-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US disclosed
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. (US) 2009-11-26 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-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 PDE4B 776/4885PDE4A 1019/4885PDE4C 1729/4885

“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.