SCHEMBL129079

SCHEMBL129079

N#Cc1cccc(Cc2c(-c3ccc(OC(F)F)c(OC4CC4)c3)[nH]c3cn[nH]c(=O)c23)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.39
GRIN1 Q05586 3/20 0.38
GRIN2B Q13224 3/20 0.38
SLC6A4 P31645 2/20 0.36
NR3C1 P04150 1/20 0.35
PDE4A P27815 2/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ACSL1 P33121 1/20 0.33
DAO P14920 1/20 0.33
TNKS O95271 2/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 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
SCHEMBL128552 0.89 PDE4B (0.36) ROCK2GRIN1GRIN2BSLC6A4PDE4A
SCHEMBL128323 0.89 PDE4A (0.42) ROCK2NR3C1PDE4APDE4BPDE4C
SCHEMBL128045 0.86 PDE4A (0.41) ROCK2PDE4APDE4BPDE4CPDE4D
SCHEMBL130110 0.85 PDE4B (0.33) GRIN1GRIN2BPDE4APDE4BPDE4C
SCHEMBL127740 0.84 ROCK2 (0.35) ROCK2GRIN2BPDE4APDE4BPDE4C
SCHEMBL132027 0.83 PDE4A (0.41) ROCK2PDE4APDE4BPDE4CPDE4D
SCHEMBL129028 0.81 PDE4D (0.37) GRIN2BPDE4APDE4BPDE4CPDE4D
SCHEMBL129016 0.81 KCNH2 (0.40) GRIN2BPDE4APDE4BPDE4CPDE4D
SCHEMBL127514 0.81 ROCK2 (0.36) ROCK2GRIN2BPDE4APDE4BPDE4C
SCHEMBL130223 0.81 PDE4D (0.33) GRIN2BPDE4APDE4BPDE4CPDE4D

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US claimed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP claimed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US claimed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP claimed
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 ROCK2 2762/4885GRIN1 874/4885GRIN2B 734/4885

“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.