SCHEMBL129489

SCHEMBL129489

O=c1[nH]ncc2[nH]c(-c3ccc(OC(F)F)c(OCC4CC4)c3)cc12

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 15/20 0.43
PDE5A O76074 1/20 0.43
PDE4B Q07343 10/20 0.42
PDE4A P27815 4/20 0.42
PDE4C Q08493 4/20 0.42
ABCB11 O95342 1/20 0.42

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
SCHEMBL127516 0.87 PDE4D (0.37) PDE4DPDE4BPDE4APDE4C
SCHEMBL127193 0.85 PDE4D (0.39) PDE4DPDE4BPDE4APDE4C
SCHEMBL130248 0.82 PDE4A (0.40) PDE4DPDE4BPDE4APDE4C
SCHEMBL128046 0.81 PDE4D (0.44) PDE4DPDE5APDE4BPDE4APDE4C
SCHEMBL130375 0.80 PDE4D (0.42) PDE4DPDE5APDE4BPDE4APDE4C
SCHEMBL132006 0.79 PDE4D (0.47) PDE4DPDE5APDE4BPDE4APDE4C
Hydrochloric Acid SCHEMBL135410 0.79 PDE4D (0.41) PDE4DPDE5APDE4BPDE4APDE4C
SCHEMBL127547 0.73 PDE4A (0.50) PDE4DPDE4BPDE4APDE4C
SCHEMBL132486 0.73 PDE4D (0.42) PDE4DPDE5APDE4B
SCHEMBL8629195 0.72 PDE4D (0.66) PDE4DPDE5APDE4BPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US claimed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP claimed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US claimed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP claimed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP 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-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 PDE4D 3827/4885PDE5A 1536/4885PDE4B 3261/4885

“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.