SCHEMBL3504464

SCHEMBL3504464

Cc1cc(-n2ccc(=O)c(-c3ccnn3-c3ccnc4ccccc34)n2)ccn1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.78
ELOVL1 Q9BW60 1/20 0.38
HTT P42858 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
AR P10275 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MALT1 Q9UDY8 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GRM4 Q14833 2/20 0.32
RIPK1 Q13546 1/20 0.32
NR3C2 P08235 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
SCHEMBL3505316 0.94 PDE10A (0.69) PDE10AELOVL1HTTMALT1CYP1A2
SCHEMBL3506103 0.88 PDE10A (0.78) PDE10AHTTPTGDR2ARALDH1A1
SCHEMBL3505967 0.88 PDE10A (1.00) PDE10AHTTPTGDR2ARALDH1A1
SCHEMBL2501874 0.86 PDE10A (0.71) PDE10AALDH1A1KDM4EHPGD
SCHEMBL7914942 0.85 PDE10A (0.74) PDE10AHTTPTGDR2ARALDH1A1
SCHEMBL3509469 0.84 PDE10A (0.64) PDE10AELOVL1HTTALDH1A1CYP1A2
SCHEMBL2472403 0.83 PDE10A (0.70) PDE10AALDH1A1MALT1CYP1A2CYP3A4
SCHEMBL2750597 0.83 PDE10A (0.70) PDE10AALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL2499608 0.83 PDE10A (0.75) PDE10AHTTPTGDR2ARALDH1A1
SCHEMBL3506423 0.83 PDE10A (0.69) PDE10AMALT1CYP1A2CYP3A4CYP2C9

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
WO-2010094762-A1 HETEROARYL SUBSTITUTED PYRIDAZINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO disclosed
US-20100216793-A1 HETEROARYL SUBSTITUTED PYRIDAZINONE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-08-26 US 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 2/4885ELOVL1 3029/4885HTT 4266/4885

“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.