SCHEMBL128765

SCHEMBL128765

O=c1[nH]ncc2c1c(Cc1ccc(F)cc1)c(-c1ccc(OC(F)F)c(OC3CC3)c1)n2COCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PDE4A P27815 6/20 0.33
PDE4B Q07343 6/20 0.33
PDE4C Q08493 5/20 0.33
PDE4D Q08499 5/20 0.33
KCNH2 Q12809 3/20 0.32
ROCK2 O75116 1/20 0.32
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
EGFR P00533 1/20 0.31
GRIN1 Q05586 2/20 0.30
GRIN2B Q13224 2/20 0.30
NMT1 P30419 1/20 0.30
SLC16A3 O15427 1/20 0.30
SLC16A1 P53985 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 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 0.96 PDE4A (0.35) CYP2C9CYP2C19PDE4APDE4BPDE4C
SCHEMBL130087 0.94 CYP2C9 (0.35) CYP2C9CYP2C19PDE4APDE4BPDE4C
SCHEMBL130107 0.91 CYP2C9 (0.33) CYP2C9CYP2C19PDE4APDE4BPDE4C
SCHEMBL128954 0.89 GRIN1 (0.35) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL129075 0.89 PDE4D (0.36) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL126614 0.88 GRIN1 (0.36) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL128908 0.88 PDE4A (0.35) CYP2C9CYP2C19PDE4APDE4BPDE4C
SCHEMBL129226 0.87 GRIN1 (0.32) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL127200 0.86 GRIN1 (0.35) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL128931 0.82 PDE4A (0.32) PDE4APDE4BPDE4CPDE4DKCNH2

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 44/4885PDE4A 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.