SCHEMBL128932

SCHEMBL128932

C[Si](C)(C)CCOCn1c(-c2ccc(OC(F)F)c(OC3CC3)c2)c(O)c2c(=O)n(Cc3ccccc3)ncc21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.37
PDE4B Q07343 10/20 0.37
PDE4C Q08493 10/20 0.37
PDE4D Q08499 10/20 0.37
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KCNH2 Q12809 1/20 0.33
NPC1 O15118 1/20 0.33
GRIN1 Q05586 4/20 0.32
GRIN2B Q13224 4/20 0.32
PTGS2 P35354 2/20 0.32
PTGS1 P23219 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
SCHEMBL128317 0.86 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL127472 0.84 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL129131 0.84 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL129260 0.84 GRIN1 (0.34) PDE4APDE4BPDE4CPDE4DGRIN1
SCHEMBL129033 0.83 PDE4D (0.40) PDE4APDE4BPDE4CPDE4DPTGS2
SCHEMBL127963 0.83 PTGS1 (0.39) PDE4APDE4BPDE4CPDE4DPTGS2
SCHEMBL128603 0.82 GRIN2B (0.34) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL127005 0.82 PDE4D (0.31) PDE4APDE4BPDE4CPDE4DNPC1
Cyclopropane SCHEMBL126268 0.82 PDE4D (0.33) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL129641 0.82 PDE4D (0.34) PDE4APDE4BPDE4CPDE4DALDH1A1

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 PDE4A 3035/4885PDE4B 3261/4885PDE4C 2846/4885

“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.