SCHEMBL128603

SCHEMBL128603

CCc1c(-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 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 12/20 0.34
GRIN1 Q05586 10/20 0.34
DGAT1 O75907 1/20 0.34
PDE4D Q08499 6/20 0.33
PDE4A P27815 3/20 0.33
PDE4B Q07343 3/20 0.33
PDE4C Q08493 3/20 0.33
KCNH2 Q12809 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL129641 0.95 PDE4D (0.34) GRIN2BGRIN1DGAT1PDE4DPDE4A
SCHEMBL129706 0.93 PDE4D (0.32) DGAT1PDE4DPDE4APDE4BPDE4C
SCHEMBL128426 0.93 PDE4D (0.34) GRIN2BGRIN1DGAT1PDE4DPDE4A
SCHEMBL128475 0.92 PDE4B (0.31) GRIN2BGRIN1DGAT1PDE4DPDE4A
SCHEMBL130022 0.92 PDE4D (0.33) GRIN2BGRIN1DGAT1PDE4DPDE4A
SCHEMBL127027 0.92 PDE4D (0.32) GRIN2BGRIN1DGAT1PDE4DPDE4A
SCHEMBL128728 0.92 PDE4D (0.33) GRIN2BGRIN1DGAT1PDE4DPDE4A
SCHEMBL130461 0.92 PDE4D (0.30) DGAT1PDE4DPDE4APDE4BPDE4C
SCHEMBL125805 0.92 PDE4D (0.33) GRIN2BGRIN1DGAT1PDE4DPDE4A
Cyclopropane SCHEMBL126268 0.92 PDE4D (0.33) DGAT1PDE4DPDE4APDE4BPDE4C

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 GRIN2B 734/4885GRIN1 874/4885DGAT1 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.