SCHEMBL14124014

SCHEMBL14124014

COc1cccn2nc(C[PH](c3ccccc3)(c3ccccc3)c3ccccc3)nc12

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 15/20 0.51
JAK2 O60674 4/20 0.44
JAK3 P52333 2/20 0.43
PDE4D Q08499 1/20 0.38
PTK2 Q05397 1/20 0.36

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
SCHEMBL14124016 0.82 PDE10A (0.50) PDE10AJAK2JAK3PTK2
SCHEMBL14124012 0.80 PDE10A (0.56) PDE10APDE4D
Hydrochloric Acid SCHEMBL2034038 0.75 PDE10A (0.50) PDE10AJAK2JAK3PTK2
SCHEMBL1853624 0.72 JAK2 (0.50) PDE10AJAK2JAK3
SCHEMBL15033534 0.72 PDE10A (0.41) PDE10A
SCHEMBL2040364 0.71 PDE10A (0.57) PDE10AJAK2JAK3
SCHEMBL1854893 0.69 JAK2 (0.75) PDE10AJAK2JAK3
SCHEMBL2251839 0.69 JAK2 (0.50) PDE10AJAK2JAK3
SCHEMBL15033533 0.69 PDE10A (0.54) PDE10A
SCHEMBL1828295 0.68 PDE10A (1.00) 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 8 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 disclosed
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
US-20130289038-A1 2-ARYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2013-10-31 US 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-8501797-B2 (2-aryl-1H-imidazol-4-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
US-20120302548-A1 2-ARYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2012-11-29 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 (4 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 5/4885JAK2 1217/4885JAK3 836/4885
US-20130281459-A1 Heteroaromatic Aryl Triazole Derivatives as PDE10A Enzyme Inhibitors PDE5A, PDE3B, PDE3A PDE10A 5/4885JAK2 1859/4885JAK3 894/4885
US-20120309764-A1 Heteroaromatic aryl triazole derivatives as PDE10A enzyme inhibitors PDE5A, PDE3B, PDE3A PDE10A 5/4885JAK2 1859/4885JAK3 894/4885
US-20120302548-A1 2-ARYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE12, PDE3B, PDE5A PDE10A 5/4885JAK2 1217/4885JAK3 836/4885

“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.