SCHEMBL129304

SCHEMBL129304

CCOC(=O)c1c(Cc2ccc(OC)nc2)c(-c2ccc(OC(F)F)c(OC3CC3)c2)n(COCc2ccccc2)c1C=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GABRA1 P14867 3/20 0.33
GABRG2 P18507 3/20 0.33
GABRB3 P28472 3/20 0.33
GABRA5 P31644 3/20 0.33
GABRA3 P34903 3/20 0.33
GABRA2 P47869 3/20 0.33
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 0.33
GABRA6 Q16445 2/20 0.33
GABRG1 Q8N1C3 2/20 0.33
GABRG3 Q99928 2/20 0.33
GABRQ Q9UN88 2/20 0.33
PDE4A P27815 6/20 0.33
PDE4B Q07343 5/20 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
SCHEMBL129377 0.89 MAPT (0.36) MAPTNPSR1GABRA1GABRG2GABRB3
SCHEMBL127886 0.86 PDE4D (0.36) MAPTNPSR1PDE4APDE4BPDE4C
SCHEMBL129648 0.86 MAPT (0.35) MAPTNPSR1PDE4APDE4BPDE4C
SCHEMBL127526 0.85 ACSL1 (0.35) MAPTNPSR1PDE4APDE4BPDE4C
SCHEMBL127633 0.84 PDE4D (0.35) MAPTNPSR1PDE4APDE4BPDE4C
SCHEMBL129263 0.84 MAPT (0.34) MAPTNPSR1PDE4APDE4BPDE4C
SCHEMBL128954 0.80 GRIN1 (0.35) PDE4APDE4BPDE4CPDE4DGRIN1
SCHEMBL129029 0.71 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL128765 0.69 CYP2C9 (0.35) PDE4APDE4BPDE4CPDE4DGRIN1
SCHEMBL127200 0.69 GRIN1 (0.35) MAPTPDE4APDE4BPDE4CPDE4D

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 MAPT 4877/4885NPSR1 859/4885GABRA1 1367/4885

“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.