SCHEMBL127200

SCHEMBL127200

COc1cccc(Cc2c(-c3ccc(OC(F)F)c(OC4CC4)c3)n(COCc3ccccc3)c3cn[nH]c(=O)c23)n1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
PDE4B Q07343 8/20 0.33
PDE4A P27815 3/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
KCNH2 Q12809 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
METAP2 P50579 1/20 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
SCHEMBL129029 0.90 PDE4A (0.35) PDE4BPDE4APDE4CPDE4DKCNH2
SCHEMBL128954 0.90 GRIN1 (0.35) GRIN1GRIN2BPDE4BPDE4APDE4C
SCHEMBL130087 0.87 CYP2C9 (0.35) GRIN1GRIN2BPDE4BPDE4APDE4C
SCHEMBL128765 0.86 CYP2C9 (0.35) GRIN1GRIN2BPDE4BPDE4APDE4C
SCHEMBL130107 0.86 CYP2C9 (0.33) GRIN2BPDE4BPDE4APDE4CPDE4D
SCHEMBL129075 0.85 PDE4D (0.36) PDE4BPDE4APDE4CPDE4DKCNH2
SCHEMBL126614 0.85 GRIN1 (0.36) GRIN1GRIN2BPDE4BPDE4APDE4C
SCHEMBL128908 0.84 PDE4A (0.35) PDE4BPDE4APDE4CPDE4DKCNH2
SCHEMBL129226 0.83 GRIN1 (0.32) GRIN1GRIN2BPDE4BPDE4APDE4C
SCHEMBL127665 0.80 GRIN1 (0.36) GRIN1GRIN2BPDE4BPDE4APDE4C

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 734/4885PDE4B 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.