SCHEMBL2036680

SCHEMBL2036680

Cc1ncc(C)n2nc(CCc3nc(-c4cscn4)nn3C)nc12

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 0.70

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
SCHEMBL2039430 0.83 PDE10A (1.00) PDE10A
SCHEMBL2036631 0.82 PDE10A (0.74) PDE10A
SCHEMBL2043806 0.81 PDE10A (0.69) PDE10A
SCHEMBL14122660 0.80 PDE10A (0.66) PDE10A
SCHEMBL2037403 0.80 PDE10A (0.69) PDE10A
SCHEMBL2044488 0.80 PDE10A (0.60) PDE10A
SCHEMBL2040719 0.79 PDE10A (0.61) PDE10A
SCHEMBL2038542 0.79 PDE10A (0.71) PDE10A
SCHEMBL2045154 0.78 PDE10A (1.00) PDE10A
SCHEMBL2034406 0.78 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785653-B2 (3-aryl-1H-1,2,4-triazol-5-yl)-linked heterocycle derivatives H. LUNDBECK A/S (DK) 2014-07-22 US disclosed
EP-2513106-B1 HETEROAROMATIC ARYL TRIAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS LUNDBECK & CO AS H (DK) 2013-11-06 EP disclosed
US-20130281459-A1 Heteroaromatic Aryl Triazole Derivatives as PDE10A Enzyme Inhibitors H. LUNDBECK A/S (DK) 2013-10-24 US disclosed
US-8501795-B2 (3-aryl-1H-1,2,4-triazol-5-yl)-linked heterocycle derivatives H. LUNDBECK A/S (DK) 2013-08-06 US disclosed
US-20120309764-A1 Heteroaromatic aryl triazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2012-12-06 US disclosed
EP-2513106-A1 HETEROAROMATIC ARYL TRIAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. Lundbeck A/S (DK) 2012-10-24 EP disclosed
WO-2011072697-A1 HETEROAROMATIC ARYL TRIAZOLE 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-20130281459-A1 Heteroaromatic Aryl Triazole Derivatives as PDE10A Enzyme Inhibitors PDE5A, PDE3B, PDE3A PDE10A 5/4885
US-20120309764-A1 Heteroaromatic aryl triazole derivatives as PDE10A enzyme inhibitors PDE5A, PDE3B, PDE3A 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.