SCHEMBL127495

SCHEMBL127495

COc1ccc(-c2[nH]c3cn[nH]c(=O)c3c2Cl)cc1OC1CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 13/20 0.42
PDE4B Q07343 11/20 0.42
PDE4C Q08493 11/20 0.42
PDE4D Q08499 11/20 0.42
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
GLRA3 O75311 1/20 0.38
GLRB P48167 1/20 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
SCHEMBL129606 0.96 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL128087 0.89 PDE4D (0.36) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL127418 0.88 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL130363 0.86 PDE4B (0.40) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL128674 0.85 LMNA (0.43) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL130244 0.85 PDE4D (0.38) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL127604 0.82 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL127463 0.78 PDE4B (0.38) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL127945 0.77 HPGD (0.39) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL127413 0.77 TLR8 (0.38) PDE4APDE4BPDE4CPDE4DLMNA

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 PDE4A 3035/4885PDE4B 3261/4885PDE4C 2846/4885

“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.