SCHEMBL128954

SCHEMBL128954

COc1ccc(Cc2c(-c3ccc(OC(F)F)c(OC4CC4)c3)n(COCc3ccccc3)c3cn[nH]c(=O)c23)cn1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
PDE4A P27815 7/20 0.34
KCNH2 Q12809 5/20 0.34
PDE4B Q07343 6/20 0.33
PDE4C Q08493 5/20 0.33
PDE4D Q08499 5/20 0.33
MAT2A P31153 1/20 0.33
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
MAPK1 P28482 1/20 0.31
CHRM4 P08173 1/20 0.31
PARP1 P09874 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
TNF P01375 1/20 0.30
MCHR1 Q99705 1/20 0.30

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
SCHEMBL129029 0.91 PDE4A (0.35) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL127200 0.90 GRIN1 (0.35) GRIN1GRIN2BPDE4AKCNH2PDE4B
SCHEMBL128765 0.89 CYP2C9 (0.35) GRIN1GRIN2BPDE4AKCNH2PDE4B
SCHEMBL130087 0.87 CYP2C9 (0.35) GRIN1GRIN2BPDE4AKCNH2PDE4B
SCHEMBL130107 0.86 CYP2C9 (0.33) GRIN2BPDE4AKCNH2PDE4BPDE4C
SCHEMBL129075 0.85 PDE4D (0.36) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL126614 0.85 GRIN1 (0.36) GRIN1GRIN2BPDE4AKCNH2PDE4B
SCHEMBL128908 0.84 PDE4A (0.35) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL129226 0.83 GRIN1 (0.32) GRIN1GRIN2BPDE4AKCNH2PDE4B
SCHEMBL128931 0.80 PDE4A (0.32) PDE4AKCNH2PDE4BPDE4CPDE4D

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GRIN1 874/4885GRIN2B 734/4885PDE4A 3035/4885

“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.