SCHEMBL2045996

SCHEMBL2045996

COc1ccc(C)n2nc(CCc3cn(C)c(-c4cccs4)n3)nc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 1.00

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
SCHEMBL2042803 0.83 PDE10A (1.00) PDE10A
SCHEMBL2039258 0.83 PDE10A (1.00) PDE10A
SCHEMBL2045313 0.81 PDE10A (1.00) PDE10A
SCHEMBL14054066 0.81 PDE10A (0.68) PDE10A
SCHEMBL2039257 0.79 PDE10A (1.00) PDE10A
SCHEMBL2043659 0.77 PDE10A (0.69) PDE10A
SCHEMBL2042796 0.75 PDE10A (1.00) PDE10A
SCHEMBL2039266 0.74 PDE10A (1.00) PDE10A
SCHEMBL2044876 0.74 PDE10A (1.00) PDE10A
SCHEMBL2043097 0.70 PDE10A (0.69) PDE10A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927738-B2 2-arylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2015-01-06 US claimed
EP-2513105-B1 2-ARYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS LUNDBECK & CO AS H (DK) 2014-05-14 EP claimed
US-20130289038-A1 2-ARYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2013-10-31 US claimed
US-8501797-B2 (2-aryl-1H-imidazol-4-yl)-linked heterocycle derivatives H. LUNDBECK A/S (DK) 2013-08-06 US claimed
EP-2513105-A1 2-ARYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. Lundbeck A/S (DK) 2012-10-24 EP claimed
WO-2011072696-A1 2-ARYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2011-06-23 WO claimed
US-8927738-B2 2-arylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2015-01-06 US disclosed
EP-2513105-B1 2-ARYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS LUNDBECK & CO AS H (DK) 2014-05-14 EP disclosed
US-20130289038-A1 2-ARYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2013-10-31 US disclosed
US-8501797-B2 (2-aryl-1H-imidazol-4-yl)-linked heterocycle derivatives H. LUNDBECK A/S (DK) 2013-08-06 US disclosed
US-20120302548-A1 2-ARYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2012-11-29 US disclosed
EP-2513105-A1 2-ARYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. Lundbeck A/S (DK) 2012-10-24 EP disclosed
WO-2011072696-A1 2-ARYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2011-06-23 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 (2 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-20130289038-A1 2-ARYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE12, PDE3B, PDE5A PDE10A 5/4885
US-20120302548-A1 2-ARYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE12, PDE3B, PDE5A PDE10A 5/4885

“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.