SCHEMBL128674

SCHEMBL128674

COc1ccc(-c2[nH]c3cn[nH]c(=O)c3c2Cl)cc1OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TLR7 Q9NYK1 6/20 0.39
TLR9 Q9NR96 5/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
TLR8 Q9NR97 5/20 0.37
S1PR1 P21453 1/20 0.36
GUSB P08236 1/20 0.36
GSK3B P49841 1/20 0.35

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
SCHEMBL127945 0.89 HPGD (0.39) LMNAKDM4EALDH1A1HPGDMAPK1
SCHEMBL127495 0.85 PDE4A (0.42) LMNAKDM4EALDH1A1HPGDMAPK1
SCHEMBL129606 0.83 PDE4A (0.45) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL130363 0.82 PDE4B (0.40) LMNATLR7TLR9POLBKMT2A
SCHEMBL126617 0.77 HPGD (0.39) LMNAKDM4EALDH1A1HPGDMAPK1
SCHEMBL128087 0.76 PDE4D (0.36) LMNAHPGDMAPK1PDE4APDE4B
SCHEMBL130244 0.74 PDE4D (0.38) LMNAHPGDMAPK1PDE4APDE4B
SCHEMBL127418 0.72 PDE4A (0.42) LMNAKDM4EALDH1A1HPGDMAPK1
SCHEMBL128046 0.72 PDE4D (0.44) PDE4APDE4BPDE4CPDE4D
SCHEMBL127991 0.71 NPC1 (0.35) LMNAKDM4EALDH1A1HPGDMAPK1

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 LMNA 1679/4885KDM4E 1902/4885ALDH1A1 580/4885

“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.