SCHEMBL130363

SCHEMBL130363

COc1ccc(-c2[nH]c3cn[nH]c(=O)c3c2Cl)cc1OCC1CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.40
PDE4A P27815 3/20 0.40
PDE4D Q08499 3/20 0.40
PDE4C Q08493 2/20 0.40
LMNA P02545 1/20 0.39
MAP3K11 Q16584 1/20 0.38
SYK P43405 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
TLR9 Q9NR96 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
FPR2 P25090 1/20 0.37

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
SCHEMBL128046 0.89 PDE4D (0.44) PDE4BPDE4APDE4DPDE4C
SCHEMBL127495 0.86 PDE4A (0.42) PDE4BPDE4APDE4DPDE4CLMNA
SCHEMBL129606 0.84 PDE4A (0.45) PDE4BPDE4APDE4DPDE4CLMNA
SCHEMBL128674 0.82 LMNA (0.43) PDE4BPDE4APDE4DPDE4CLMNA
SCHEMBL130375 0.78 PDE4D (0.42) PDE4BPDE4APDE4DPDE4C
Hydrochloric Acid SCHEMBL135410 0.77 PDE4D (0.41) PDE4BPDE4APDE4DPDE4C
SCHEMBL132006 0.75 PDE4D (0.47) PDE4BPDE4APDE4DPDE4C
SCHEMBL128087 0.75 PDE4D (0.36) PDE4BPDE4APDE4DPDE4CLMNA
SCHEMBL127418 0.74 PDE4A (0.42) PDE4BPDE4APDE4DPDE4CLMNA
SCHEMBL130244 0.74 PDE4D (0.38) PDE4BPDE4APDE4DPDE4CLMNA

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.