SCHEMBL2480975

SCHEMBL2480975

CS(=O)(=O)c1cccc(-n2ccc(=O)c(-c3ccnn3-c3ccc(C(=O)O)cc3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.54
RARG P13631 5/20 0.41
RARA P10276 4/20 0.41
RARB P10826 4/20 0.41
RXRA P19793 4/20 0.41
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.37
CYP2C9 P11712 1/20 0.37
POLB P06746 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 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
SCHEMBL27824261 0.93 PDE10A (0.52) PDE10AKDM5AKDM4CKDM5BMEN1
SCHEMBL519407 0.91 PDE10A (0.63) PDE10AHTTALDH1A1CYP2C9
SCHEMBL2751516 0.89 PDE10A (0.54) PDE10AHTTALDH1A1CYP2C9CA12
SCHEMBL2506974 0.88 PDE10A (0.55) PDE10AMEN1KMT2AHTTALDH1A1
SCHEMBL2507945 0.87 PDE10A (0.58) PDE10AHTTALDH1A1CYP2C9
SCHEMBL2496139 0.87 PDE10A (0.56) PDE10AHTTALDH1A1CYP2C9
SCHEMBL2479546 0.87 PDE10A (0.49) PDE10AMEN1KMT2AHTTALDH1A1
SCHEMBL2477626 0.87 PDE10A (0.53) PDE10AHTTCA12CA1CA2
SCHEMBL2504655 0.86 PDE10A (0.52) PDE10AHTTALDH1A1POLB
SCHEMBL27824223 0.86 PDE10A (0.52) PDE10AMEN1KMT2AHTTALDH1A1

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 17 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
CN-102239162-A Pyridazinone derivatives HOFFMANN LA ROCHE 2011-11-09 CN 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
CN-102239162-A Pyridazinone derivatives HOFFMANN LA ROCHE 2011-11-09 CN 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 3/4885RARG 2495/4885RARA 2101/4885

“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.