SCHEMBL2480701

SCHEMBL2480701

N#Cc1cccc(-n2nccc2-c2nn(-c3cccc(F)c3)ccc2=O)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.55
GRM5 P41594 1/20 0.46
NR3C2 P08235 1/20 0.42
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KEAP1 Q14145 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
FADS1 O60427 3/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL2477642 1.00 PDE10A (0.55) PDE10AGRM5NR3C2ALDH1A1CYP1A2
SCHEMBL2500039 0.90 PDE10A (0.64) PDE10ANR3C2ALDH1A1CYP1A2CYP3A4
SCHEMBL2475388 0.89 PDE10A (0.59) PDE10AGRM5ALDH1A1KDM4E
SCHEMBL2479047 0.89 PDE10A (0.65) PDE10AGRM5NR3C2ALDH1A1KDM4E
SCHEMBL2481037 0.88 PDE10A (0.54) PDE10AGRM5ALDH1A1CYP1A2CYP3A4
SCHEMBL3506778 0.88 PDE10A (0.54) PDE10AGRM5ALDH1A1KDM4E
SCHEMBL3503823 0.87 PDE10A (0.52) PDE10AGRM5NR3C2ALDH1A1CYP1A2
SCHEMBL2751697 0.87 PDE10A (0.57) PDE10AGRM5ALDH1A1CYP1A2CYP3A4
SCHEMBL2476153 0.86 PDE10A (0.65) PDE10AGRM5NR3C2ALDH1A1CYP1A2
SCHEMBL518620 0.86 PDE10A (0.71) PDE10ANR3C2ALDH1A1CYP1A2CYP3A4

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
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

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 3/4885GRM5 871/4885NR3C2 451/4885

“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.