SCHEMBL129686

SCHEMBL129686

COc1ccc(-c2c(Cl)c3c(=O)[nH]ncc3n2COCC[Si](C)(C)C)cc1OC1CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.36
PDE4B Q07343 10/20 0.36
PDE4C Q08493 9/20 0.36
PDE4D Q08499 9/20 0.36
EGFR P00533 1/20 0.34
IGF1R P08069 1/20 0.34
SRC P12931 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.34
EPHB4 P54760 1/20 0.34
TEK Q02763 1/20 0.34
GLRA3 O75311 2/20 0.33
GLRB P48167 2/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
FPR2 P25090 1/20 0.33

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
SCHEMBL128738 0.97 PDE4A (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL128245 0.91 GRIN2B (0.33) PDE4APDE4BPDE4CPDE4D
SCHEMBL127301 0.90 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DEGFR
SCHEMBL129295 0.89 PDE4B (0.37) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL128240 0.88 PDE4D (0.35) PDE4APDE4BPDE4CPDE4D
SCHEMBL127991 0.87 NPC1 (0.35) PDE4APDE4BPDE4CPDE4DEGFR
SCHEMBL4371937 0.83 PDE4D (0.35) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL129930 0.82 PDE4D (0.32) PDE4APDE4BPDE4CPDE4D
SCHEMBL127181 0.81 PDE4D (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL129045 0.81 PDE4D (0.33) PDE4APDE4BPDE4CPDE4D

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.