SCHEMBL2498064

SCHEMBL2498064

CCc1cccc(-n2ccc(=O)c(-c3ccnn3-c3ccc(S(C)(=O)=O)cc3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.55
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.37
ALOX5 P09917 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTGS2 P35354 4/20 0.36
ALDH1A1 P00352 2/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL2502190 0.89 PDE10A (0.67) PDE10AHTTALDH1A1
SCHEMBL2493876 0.87 PDE10A (0.59) PDE10AHTTNPSR1ALDH1A1
SCHEMBL519106 0.86 PDE10A (0.57) PDE10AHTTALOX5PTGS2ALDH1A1
SCHEMBL2543595 0.86 PDE10A (0.57) PDE10AHTTALOX5PTGS2ALDH1A1
SCHEMBL519407 0.84 PDE10A (0.63) PDE10AHTTNPSR1ALDH1A1
SCHEMBL2477626 0.83 PDE10A (0.53) PDE10AHTTPTGS2PTGS1
SCHEMBL2506974 0.83 PDE10A (0.55) PDE10AMEN1KMT2AHTTNPSR1
SCHEMBL2498289 0.83 PDE10A (0.64) PDE10AMEN1PKMKMT2AHTT
SCHEMBL2751516 0.82 PDE10A (0.54) PDE10AHTTNPSR1PTGS2ALDH1A1
SCHEMBL2496139 0.82 PDE10A (0.56) PDE10AHTTPTGS2ALDH1A1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373641-B1 PYRIDAZINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-12-19 EP claimed
US-8178538-B2 Pyridazinones HOFFMANN-LA ROCHE INC. (US) 2012-05-15 US claimed
EP-2373641-A1 PYRIDAZINONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-10-12 EP claimed
US-20100152193-A1 PYRIDAZINONES HOFFMANN-LA ROCHE, INC. 2010-06-17 US claimed
WO-2010063610-A1 PYRIDAZINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 WO claimed
EP-2373641-B1 PYRIDAZINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-12-19 EP disclosed
EP-2373641-B1 PYRIDAZINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-12-19 EP disclosed
US-8178538-B2 Pyridazinones HOFFMANN-LA ROCHE INC. (US) 2012-05-15 US disclosed
US-8178538-B2 Pyridazinones HOFFMANN-LA ROCHE INC. (US) 2012-05-15 US disclosed
US-8178538-B2 Pyridazinones HOFFMANN-LA ROCHE INC. (US) 2012-05-15 US disclosed
EP-2373641-A1 PYRIDAZINONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-10-12 EP disclosed
US-20100152193-A1 PYRIDAZINONES HOFFMANN-LA ROCHE, INC. 2010-06-17 US disclosed
US-20100152193-A1 PYRIDAZINONES HOFFMANN-LA ROCHE, INC. 2010-06-17 US disclosed
US-20100152193-A1 PYRIDAZINONES HOFFMANN-LA ROCHE, INC. 2010-06-17 US disclosed
WO-2010063610-A1 PYRIDAZINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 WO disclosed
WO-2010063610-A1 PYRIDAZINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 WO 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-20100152193-A1 PYRIDAZINONES PDE5A, PDE3A, PDE10A PDE10A 3/4885MEN1 1741/4885MAPT 2313/4885

“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.