SCHEMBL125498

SCHEMBL125498

Cc1c(-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 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.34
PDE4D Q08499 9/20 0.34
PDE4A P27815 6/20 0.34
PDE4C Q08493 6/20 0.34
DGAT1 O75907 1/20 0.34
HPGD P15428 2/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 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
SCHEMBL127747 0.90 PDE4D (0.34) PDE4BPDE4DPDE4APDE4CDGAT1
SCHEMBL129243 0.90 PDE4D (0.33) PDE4BPDE4DPDE4APDE4CDGAT1
SCHEMBL128899 0.90 TLR8 (0.35) PDE4BPDE4DPDE4APDE4CTLR9
SCHEMBL127763 0.90 PDE4D (0.35) PDE4BPDE4DPDE4APDE4CDGAT1
SCHEMBL127470 0.89 PDE4D (0.34) PDE4BPDE4DPDE4APDE4CDGAT1
SCHEMBL129219 0.89 PDE4D (0.34) PDE4BPDE4DPDE4APDE4CDGAT1
SCHEMBL128716 0.89 PDE4D (0.32) PDE4BPDE4DPDE4APDE4CDGAT1
SCHEMBL129027 0.89 PDE4D (0.34) PDE4BPDE4DPDE4APDE4CDGAT1
SCHEMBL128072 0.89 PDE4D (0.33) PDE4BPDE4DPDE4APDE4CDGAT1
SCHEMBL129618 0.88 PDE4D (0.35) PDE4BPDE4DPDE4APDE4CDGAT1

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 PDE4B 3261/4885PDE4D 3827/4885PDE4A 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.