SCHEMBL2493962

SCHEMBL2493962

CS(=O)(=O)c1cccc(-n2ccc(=O)c(-c3ccnn3-c3cccc4c3OCO4)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.47
EPHB4 P54760 3/20 0.39
CYP3A4 P08684 2/20 0.35
CDK2 P24941 1/20 0.35
EPHB2 P29323 1/20 0.35
CSK P41240 1/20 0.35
JAK3 P52333 1/20 0.35
PTK2 Q05397 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTGS2 P35354 3/20 0.34
KCNH2 Q12809 3/20 0.34
PTGS1 P23219 2/20 0.34
ALDH1A1 P00352 1/20 0.33
MAOB P27338 1/20 0.33
HTT P42858 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
SCHEMBL2506457 0.93 PDE10A (0.47) PDE10AEPHB4CYP3A4CYP1A2CYP2C9
SCHEMBL2500427 0.88 PDE10A (0.49) PDE10ACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL2500603 0.84 PDE10A (0.47) PDE10ACYP3A4JAK3PTK2CYP1A2
SCHEMBL2505083 0.83 PDE10A (0.50) PDE10ACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL2497817 0.82 PDE10A (0.49) PDE10ACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL519407 0.82 PDE10A (0.63) PDE10ACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL2499285 0.82 PDE10A (0.52) PDE10ACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL2751556 0.81 PDE10A (0.57) PDE10ACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL2751119 0.81 PDE10A (0.49) PDE10ACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL2473818 0.80 PDE10A (0.54) PDE10ACYP3A4CYP1A2CYP2C9CYP2C19

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 14 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

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 3/4885EPHB4 1555/4885CYP3A4 158/4885

“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.