SCHEMBL128218

SCHEMBL128218

C[Si](C)(C)CCOCn1c(-c2ccc(OC(F)F)c(OC3CCC3)c2)c(Br)c2c(=O)[nH]ncc21

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 12/20 0.34
PDE4A P27815 9/20 0.34
PDE4B Q07343 7/20 0.34
PDE4C Q08493 6/20 0.34
KCNH2 Q12809 4/20 0.32
GRIN2B Q13224 3/20 0.30
TIPARP Q7Z3E1 1/20 0.30
GRIN1 Q05586 2/20 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
SCHEMBL127461 0.91 PDE4D (0.34) PDE4DPDE4APDE4BPDE4CKCNH2
SCHEMBL128240 0.91 PDE4D (0.35) PDE4DPDE4APDE4BPDE4CKCNH2
SCHEMBL128795 0.89 PDE4D (0.35) PDE4DPDE4APDE4BPDE4CKCNH2
SCHEMBL127301 0.88 PDE4A (0.35) PDE4DPDE4APDE4BPDE4C
SCHEMBL132038 0.88 GRIN2B (0.32) PDE4DPDE4APDE4BPDE4CKCNH2
SCHEMBL128620 0.88 PRMT5 (0.31) PDE4DPDE4APDE4BPDE4CKCNH2
SCHEMBL128245 0.88 GRIN2B (0.33) PDE4DPDE4APDE4BPDE4CKCNH2
SCHEMBL129930 0.88 PDE4D (0.32) PDE4DPDE4APDE4BPDE4CKCNH2
SCHEMBL4371937 0.87 PDE4D (0.35) PDE4DPDE4APDE4BPDE4CKCNH2
SCHEMBL129045 0.87 PDE4D (0.33) PDE4DPDE4APDE4BPDE4CKCNH2

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 PDE4D 3827/4885PDE4A 3035/4885PDE4B 3261/4885

“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.