SCHEMBL2475773

SCHEMBL2475773

CN(C)S(=O)(=O)c1cccc(-n2ccc(=O)c(-c3ccnn3-c3cccc(F)c3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.52
NR3C2 P08235 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KEAP1 Q14145 1/20 0.36
MAPK14 Q16539 1/20 0.35
PMM2 O15305 1/20 0.35
MAPT P10636 1/20 0.35
G6PD P11413 1/20 0.35
PKM P14618 1/20 0.35
MPI P34949 1/20 0.35
RAB9A P51151 1/20 0.35
PHOSPHO1 Q8TCT1 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
NPY5R Q15761 1/20 0.34

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
SCHEMBL2475346 0.90 PDE10A (0.49) PDE10ANR3C2ALDH1A1KDM4EHPGD
SCHEMBL2506703 0.89 PDE10A (0.54) PDE10ANR3C2ALDH1A1KDM4EHPGD
SCHEMBL2475443 0.89 PDE10A (0.57) PDE10AALDH1A1KDM4EHPGDCYP1A2
SCHEMBL7909411 0.89 PDE10A (0.49) PDE10AALDH1A1KDM4EHPGDCYP2C9
SCHEMBL3504793 0.89 PDE10A (0.51) PDE10AALDH1A1KDM4EHPGDPMM2
SCHEMBL2473238 0.87 PDE10A (0.49) PDE10AALDH1A1KDM4EHPGDPMM2
SCHEMBL2500039 0.87 PDE10A (0.64) PDE10ANR3C2ALDH1A1KDM4EHPGD
SCHEMBL2750050 0.87 PDE10A (0.72) PDE10AALDH1A1KDM4EHPGD
SCHEMBL2480252 0.86 PDE10A (0.47) PDE10AALDH1A1KDM4EHPGDCYP3A4
SCHEMBL2496108 0.85 PDE10A (0.47) PDE10AALDH1A1KDM4EHPGDMAPT

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 15 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
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 3/4885NR3C2 451/4885ALDH1A1 251/4885

“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.