SCHEMBL127747

SCHEMBL127747

CCc1c(-c2ccc(OC(F)F)c(OC3CC3)c2)[nH]c2cnn(COCC[Si](C)(C)C)c(=O)c12

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 6/20 0.34
PDE4A P27815 3/20 0.34
PDE4B Q07343 3/20 0.34
PDE4C Q08493 3/20 0.34
TLR7 Q9NYK1 11/20 0.33
TLR8 Q9NR97 10/20 0.33
TLR9 Q9NR96 9/20 0.33
DGAT1 O75907 1/20 0.33
KCNH2 Q12809 1/20 0.33
GRIN2B Q13224 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL127763 0.94 PDE4D (0.35) PDE4DPDE4APDE4BPDE4CTLR7
SCHEMBL127272 0.93 PDE4D (0.33) PDE4DPDE4APDE4BPDE4CTLR7
SCHEMBL127470 0.92 PDE4D (0.34) PDE4DPDE4APDE4BPDE4CTLR7
SCHEMBL129219 0.92 PDE4D (0.34) PDE4DPDE4APDE4BPDE4CTLR7
SCHEMBL128716 0.92 PDE4D (0.32) PDE4DPDE4APDE4BPDE4CDGAT1
SCHEMBL129027 0.92 PDE4D (0.34) PDE4DPDE4APDE4BPDE4CTLR7
SCHEMBL128072 0.92 PDE4D (0.33) PDE4DPDE4APDE4BPDE4CTLR7
SCHEMBL129618 0.92 PDE4D (0.35) PDE4DPDE4APDE4BPDE4CTLR7
SCHEMBL128818 0.91 DGAT1 (0.32) PDE4DPDE4APDE4BPDE4CDGAT1
SCHEMBL127425 0.91 PDE4D (0.33) PDE4DPDE4APDE4BPDE4CDGAT1

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 PDE4D 3827/4885PDE4A 3035/4885PDE4B 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.