SCHEMBL130087

SCHEMBL130087

O=c1[nH]ncc2c1c(Cc1cccc(F)c1)c(-c1ccc(OC(F)F)c(OC3CC3)c1)n2COCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PDE4B Q07343 3/20 0.33
PDE4A P27815 2/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
GRIN1 Q05586 5/20 0.33
GRIN2B Q13224 5/20 0.33
CCR2 P41597 1/20 0.32
KCNH2 Q12809 1/20 0.32
ROCK2 O75116 1/20 0.32
SLC6A4 P31645 3/20 0.32
HTR6 P50406 1/20 0.31

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 0.94 PDE4A (0.35) CYP2C9CYP2C19PDE4BPDE4APDE4C
SCHEMBL128765 0.94 CYP2C9 (0.35) CYP2C9CYP2C19PDE4BPDE4APDE4C
SCHEMBL129075 0.91 PDE4D (0.36) PDE4BPDE4APDE4CPDE4DKCNH2
SCHEMBL126614 0.90 GRIN1 (0.36) PDE4BPDE4APDE4CPDE4DGRIN1
SCHEMBL130107 0.90 CYP2C9 (0.33) CYP2C9CYP2C19PDE4BPDE4APDE4C
SCHEMBL128954 0.87 GRIN1 (0.35) PDE4BPDE4APDE4CPDE4DGRIN1
SCHEMBL127200 0.87 GRIN1 (0.35) PDE4BPDE4APDE4CPDE4DGRIN1
SCHEMBL128908 0.87 PDE4A (0.35) CYP2C9CYP2C19PDE4BPDE4APDE4C
SCHEMBL129226 0.86 GRIN1 (0.32) PDE4BPDE4APDE4CPDE4DGRIN1
SCHEMBL128931 0.84 PDE4A (0.32) PDE4BPDE4APDE4CPDE4DKCNH2

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 CYP2C9 96/4885CYP2C19 44/4885PDE4B 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.