SCHEMBL127963

SCHEMBL127963

C[Si](C)(C)CCOCn1c(-c2ccc(OC(F)F)c(OCC3CC3)c2)c(I)c2c(=O)n(Cc3ccccc3)ncc21

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
PDE4D Q08499 15/20 0.39
PDE4B Q07343 7/20 0.39
PDE4A P27815 7/20 0.39
PDE4C Q08493 5/20 0.39
PDE5A O76074 1/20 0.36
ITGA4 P13612 1/20 0.35

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
SCHEMBL129033 0.92 PDE4D (0.40) PTGS1PTGS2PDE4DPDE4BPDE4A
SCHEMBL129474 0.84 PDE4B (0.39) PDE4DPDE4BPDE4APDE4CPDE5A
SCHEMBL128302 0.83 PDE4D (0.38) PDE4DPDE4BPDE4APDE4CPDE5A
SCHEMBL128932 0.83 PDE4A (0.37) PTGS1PTGS2PDE4DPDE4BPDE4A
SCHEMBL127181 0.78 PDE4D (0.39) PDE4DPDE4BPDE4APDE4CPDE5A
SCHEMBL128317 0.77 PDE4A (0.34) PDE4DPDE4BPDE4APDE4C
SCHEMBL127472 0.76 PDE4A (0.33) PDE4DPDE4BPDE4APDE4C
SCHEMBL129131 0.76 PDE4A (0.33) PDE4DPDE4BPDE4APDE4C
SCHEMBL128475 0.75 PDE4B (0.31) PDE4DPDE4BPDE4APDE4C
SCHEMBL130461 0.75 PDE4D (0.30) PDE4DPDE4BPDE4APDE4C

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 PTGS1 374/4885PTGS2 447/4885PDE4D 3827/4885

“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.