SCHEMBL14212466

SCHEMBL14212466

CCc1ccc(C)n2nc(/C=C/c3nc(-c4ccccc4)nn3C)nc12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 12/20 0.47
NR1H3 Q13133 4/20 0.40
NR1H2 P55055 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4C Q9H3R0 2/20 0.38
TDP2 O95551 2/20 0.36
RAF1 P04049 1/20 0.36
MAP2K1 Q02750 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
SCHEMBL6885397 0.89 PDE10A (0.45) PDE10ANR1H3NR1H2NPC1RAB9A
SCHEMBL260137 0.82 PDE10A (0.61) PDE10A
SCHEMBL260138 0.82 PDE10A (0.61) PDE10A
SCHEMBL14212465 0.80 PDE10A (0.60) PDE10A
SCHEMBL6884802 0.80 PDE10A (0.60) PDE10A
SCHEMBL2040321 0.76 PDE10A (0.77) PDE10A
SCHEMBL2038680 0.69 PDE10A (0.64) PDE10ANR1H3
SCHEMBL259841 0.68 PDE10A (0.61) PDE10A
SCHEMBL259842 0.68 PDE10A (0.61) PDE10A
SCHEMBL259831 0.68 PDE10A (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120309764-A1 Heteroaromatic aryl triazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2012-12-06 US disclosed
US-20120309764-A1 Heteroaromatic aryl triazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2012-12-06 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-20120309764-A1 Heteroaromatic aryl triazole derivatives as PDE10A enzyme inhibitors PDE5A, PDE3B, PDE3A PDE10A 5/4885NR1H3 1663/4885NR1H2 1699/4885

“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.