SCHEMBL2497080

SCHEMBL2497080

Cc1ccc(-n2nccc2-c2nn(-c3cccc(OC(F)(F)F)c3)ccc2=O)cc1

nearest known ligand 0.85

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 8/20 0.85
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HTT P42858 1/20 0.47
SLC5A1 P13866 2/20 0.44
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL519087 0.92 PDE10A (1.00) PDE10AALDH1A1SLC5A1
SCHEMBL2750426 0.92 PDE10A (0.92) PDE10AALDH1A1KDM4EHPGDNPSR1
SCHEMBL2529075 0.91 PDE10A (0.86) PDE10AALDH1A1SLC5A1KDM4EHPGD
Hydrogen Sulfide SCHEMBL27824224 0.91 PDE10A (0.98) PDE10AALDH1A1SLC5A1
SCHEMBL7909376 0.90 PDE10A (0.85) PDE10AALDH1A1MEN1KMT2AKDM4E
SCHEMBL2532142 0.90 PDE10A (0.85) PDE10AALDH1A1SLC5A1KDM4EHPGD
SCHEMBL2498041 0.90 PDE10A (0.88) PDE10AALDH1A1KDM4EHPGDNPSR1
SCHEMBL2509403 0.90 PDE10A (0.80) PDE10AALDH1A1MEN1KMT2AKDM4E
SCHEMBL2749131 0.89 PDE10A (0.83) PDE10AALDH1A1MEN1KMT2AKDM4E
SCHEMBL2534711 0.89 PDE10A (0.76) PDE10AALDH1A1MEN1KMT2AHTT

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
US-20100152193-A1 PYRIDAZINONES HOFFMANN-LA ROCHE, INC. 2010-06-17 US 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 3/4885ALDH1A1 251/4885MEN1 1741/4885

“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.