SCHEMBL126689

SCHEMBL126689

C[Si](C)(C)CCOCn1cc(-c2c(-c3ccc(OC(F)F)c(OC4CC4)c3)n(COCC[Si](C)(C)C)c3cnn(COCC[Si](C)(C)C)c(=O)c23)cn1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 15/20 0.33
GRIN2B Q13224 8/20 0.32
PDE4D Q08499 3/20 0.31
MAP3K12 Q12852 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
SCHEMBL129260 0.88 GRIN1 (0.34) GRIN2BPDE4D
SCHEMBL128603 0.87 GRIN2B (0.34) KCNH2GRIN2BPDE4D
SCHEMBL127005 0.87 PDE4D (0.31) GRIN2BPDE4D
SCHEMBL129588 0.86 PDE4D (0.31) GRIN2BPDE4D
SCHEMBL129641 0.86 PDE4D (0.34) KCNH2GRIN2BPDE4D
SCHEMBL127027 0.85 PDE4D (0.32) GRIN2BPDE4D
SCHEMBL130022 0.85 PDE4D (0.33) GRIN2BPDE4D
SCHEMBL128475 0.85 PDE4B (0.31) GRIN2BPDE4D
SCHEMBL129706 0.85 PDE4D (0.32) PDE4D
SCHEMBL130461 0.85 PDE4D (0.30) PDE4D

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 KCNH2 34/4885GRIN2B 734/4885PDE4D 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.