SCHEMBL3504153

SCHEMBL3504153

O=c1ccn(-c2ccncc2)nc1-c1ccnn1-c1cccc(F)c1F

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 11/20 0.61
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.39
ELOVL1 Q9BW60 1/20 0.39
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
NR3C2 P08235 1/20 0.33
HSP90AA1 P07900 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
SCHEMBL3506408 0.91 PDE10A (0.67) PDE10ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2750052 0.84 PDE10A (0.67) PDE10ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL519629 0.83 PDE10A (0.60) PDE10ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3509199 0.82 PDE10A (0.67) PDE10ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3504304 0.82 PDE10A (0.65) PDE10ACYP2C9ALDH1A1HTT
SCHEMBL3504700 0.81 PDE10A (0.66) PDE10ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL27834833 0.81 PDE10A (0.57) PDE10ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3506625 0.81 PDE10A (0.65) PDE10ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2504184 0.81 PDE10A (0.60) PDE10ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3505539 0.81 PDE10A (0.62) 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
US-9187455-B2 Substituted pyridazines as PDE10A inhibitors HOFFMANN-LA ROCHE INC. (US) 2015-11-17 US claimed
EP-2398795-B1 HETEROARYL SUBSTITUTED PYRIDAZINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-10-15 EP claimed
EP-2398795-A1 HETEROARYL SUBSTITUTED PYRIDAZINONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-12-28 EP claimed
WO-2010094762-A1 HETEROARYL SUBSTITUTED PYRIDAZINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO claimed
US-20100216793-A1 HETEROARYL SUBSTITUTED PYRIDAZINONE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-08-26 US claimed
US-9187455-B2 Substituted pyridazines as PDE10A inhibitors HOFFMANN-LA ROCHE INC. (US) 2015-11-17 US disclosed
US-9187455-B2 Substituted pyridazines as PDE10A inhibitors HOFFMANN-LA ROCHE INC. (US) 2015-11-17 US disclosed
US-9187455-B2 Substituted pyridazines as PDE10A inhibitors HOFFMANN-LA ROCHE INC. (US) 2015-11-17 US disclosed
EP-2398795-B1 HETEROARYL SUBSTITUTED PYRIDAZINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-10-15 EP disclosed
EP-2398795-A1 HETEROARYL SUBSTITUTED PYRIDAZINONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-12-28 EP disclosed
US-20100216793-A1 HETEROARYL SUBSTITUTED PYRIDAZINONE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-08-26 US disclosed
US-20100216793-A1 HETEROARYL SUBSTITUTED PYRIDAZINONE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-08-26 US disclosed
US-20100216793-A1 HETEROARYL SUBSTITUTED PYRIDAZINONE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-08-26 US disclosed
WO-2010094762-A1 HETEROARYL SUBSTITUTED PYRIDAZINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 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-20100216793-A1 HETEROARYL SUBSTITUTED PYRIDAZINONE DERIVATIVES PDE3A, PDE10A, PDE5A PDE10A 2/4885CYP1A2 59/4885CYP3A4 55/4885

“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.