SCHEMBL129260

SCHEMBL129260

Cc1c(-c2ccc(OC(F)F)c(OC3CC3)c2)n(COCC[Si](C)(C)C)c2cnn(COCC[Si](C)(C)C)c(=O)c12

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 10/20 0.34
GRIN2B Q13224 10/20 0.34
DGAT1 O75907 1/20 0.33
PDE4D Q08499 6/20 0.32
PDE4B Q07343 4/20 0.32
PDE4A P27815 3/20 0.32
PDE4C Q08493 3/20 0.32
GRM2 Q14416 2/20 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
SCHEMBL128603 0.91 GRIN2B (0.34) GRIN1GRIN2BDGAT1PDE4DPDE4B
SCHEMBL127005 0.91 PDE4D (0.31) GRIN1GRIN2BDGAT1PDE4DPDE4B
SCHEMBL129588 0.90 PDE4D (0.31) GRIN1GRIN2BDGAT1PDE4DPDE4B
SCHEMBL129641 0.90 PDE4D (0.34) GRIN1GRIN2BDGAT1PDE4DPDE4B
SCHEMBL128426 0.90 PDE4D (0.34) GRIN1GRIN2BDGAT1PDE4DPDE4B
SCHEMBL128475 0.89 PDE4B (0.31) GRIN1GRIN2BDGAT1PDE4DPDE4B
SCHEMBL127027 0.89 PDE4D (0.32) GRIN1GRIN2BDGAT1PDE4DPDE4B
SCHEMBL130022 0.89 PDE4D (0.33) GRIN1GRIN2BDGAT1PDE4DPDE4B
SCHEMBL128728 0.89 PDE4D (0.33) GRIN1GRIN2BDGAT1PDE4DPDE4B
SCHEMBL129706 0.89 PDE4D (0.32) DGAT1PDE4DPDE4BPDE4APDE4C

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 GRIN1 874/4885GRIN2B 734/4885DGAT1 2027/4885

“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.