SCHEMBL128552

SCHEMBL128552

O=c1[nH]ncc2[nH]c(-c3ccc(OC(F)F)c(OC4CC4)c3)c(Cc3cccc(F)c3)c12

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.36
PDE4A P27815 4/20 0.36
PDE4D Q08499 4/20 0.36
PDE4C Q08493 3/20 0.36
ROCK2 O75116 1/20 0.34
KCNH2 Q12809 3/20 0.34
NLRP3 Q96P20 2/20 0.34
SLC6A4 P31645 2/20 0.34
HTR6 P50406 1/20 0.34
GRIN1 Q05586 3/20 0.34
GRIN2B Q13224 3/20 0.34
TP53 P04637 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33

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
SCHEMBL128323 0.91 PDE4A (0.42) PDE4BPDE4APDE4DPDE4CROCK2
SCHEMBL127740 0.91 ROCK2 (0.35) PDE4BPDE4APDE4DPDE4CROCK2
SCHEMBL129079 0.89 ROCK2 (0.39) PDE4BPDE4APDE4DPDE4CROCK2
SCHEMBL128045 0.89 PDE4A (0.41) PDE4BPDE4APDE4DPDE4CROCK2
SCHEMBL127514 0.86 ROCK2 (0.36) PDE4BPDE4APDE4DPDE4CROCK2
SCHEMBL132027 0.85 PDE4A (0.41) PDE4BPDE4APDE4DPDE4CROCK2
SCHEMBL129028 0.84 PDE4D (0.37) PDE4BPDE4APDE4DPDE4CKCNH2
SCHEMBL129016 0.84 KCNH2 (0.40) PDE4BPDE4APDE4DPDE4CKCNH2
SCHEMBL128313 0.83 PDE4B (0.35) PDE4BPDE4APDE4DPDE4CKCNH2
SCHEMBL129424 0.83 PDE4D (0.39) PDE4BPDE4APDE4DPDE4CKCNH2

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 PDE4B 3261/4885PDE4A 3035/4885PDE4D 3827/4885

“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.