SCHEMBL126135

SCHEMBL126135

O=c1[nH]ncc2c1c(O)c(-c1ccc(OC(F)F)c(OC3CC3)c1)n2Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.41
PDE4D Q08499 9/20 0.41
PDE4B Q07343 8/20 0.41
PDE4C Q08493 8/20 0.41
KCNH2 Q12809 4/20 0.37
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GRIN1 Q05586 5/20 0.34
GRIN2B Q13224 5/20 0.34
ROCK2 O75116 2/20 0.33
CCR2 P41597 1/20 0.33
ROCK1 Q13464 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
SCHEMBL128908 0.81 PDE4A (0.35) PDE4APDE4DPDE4BPDE4CKCNH2
SCHEMBL129029 0.81 PDE4A (0.35) PDE4APDE4DPDE4BPDE4CKCNH2
SCHEMBL128765 0.78 CYP2C9 (0.35) PDE4APDE4DPDE4BPDE4CKCNH2
SCHEMBL128932 0.78 PDE4A (0.37) PDE4APDE4DPDE4BPDE4CKCNH2
SCHEMBL130107 0.78 CYP2C9 (0.33) PDE4APDE4DPDE4BPDE4CKCNH2
SCHEMBL130087 0.78 CYP2C9 (0.35) PDE4APDE4DPDE4BPDE4CKCNH2
SCHEMBL126134 0.77 PDE4D (0.40) PDE4APDE4DPDE4BPDE4CKCNH2
SCHEMBL129075 0.77 PDE4D (0.36) PDE4APDE4DPDE4BPDE4CKCNH2
SCHEMBL127871 0.77 PDE4D (0.33) PDE4APDE4DPDE4BPDE4CKCNH2
SCHEMBL130155 0.76 PDE4D (0.36) PDE4APDE4DPDE4BPDE4CKCNH2

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 3035/4885PDE4D 3827/4885PDE4B 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.