SCHEMBL2500379

SCHEMBL2500379

O=c1ccn(-c2ccc(OCC(F)(F)F)cc2)nc1-c1ccnn1-c1ccccc1F

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.75
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.39
NR3C2 P08235 1/20 0.37
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LIPE Q05469 1/20 0.35
HSP90AA1 P07900 1/20 0.34
CACNA1G O43497 1/20 0.34
CACNA1H O95180 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
SCHEMBL2501125 0.88 PDE10A (0.74) PDE10ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2750667 0.87 PDE10A (0.64) PDE10ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2504184 0.86 PDE10A (0.60) PDE10ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2499195 0.85 PDE10A (1.00) PDE10ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2504620 0.84 PDE10A (0.66) PDE10ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2750052 0.84 PDE10A (0.67) PDE10ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2504709 0.83 PDE10A (0.79) PDE10ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3507503 0.83 PDE10A (0.59) PDE10ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2494448 0.82 PDE10A (0.66) PDE10ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7911177 0.82 PDE10A (0.63) PDE10ACYP1A2CYP3A4CYP2C9CYP2C19

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 3/4885CYP1A2 87/4885CYP3A4 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.