SCHEMBL13330628

SCHEMBL13330628

Cc1cccnc1Oc1ccc(C(=O)c2nc3ccccc3s2)cc1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 15/20 0.77
▸ BCL2 P10415 1/20 0.53
▸ MCL1 Q07820 1/20 0.53
▸ BAD Q92934 1/20 0.53
▸ HSD17B1 P14061 1/20 0.46
▸ HSD17B2 P37059 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45

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
SCHEMBL11989041 0.88 PDE10A (0.71) PDE10ABCL2MCL1BADHSD17B1
SCHEMBL2459800 0.87 PDE10A (1.00) PDE10ABCL2MCL1BADHSD17B1
SCHEMBL14878695 0.87 PDE10A (0.77) PDE10ABCL2MCL1BADHSD17B1
SCHEMBL13330630 0.85 PDE10A (0.62) PDE10ABCL2MCL1BADHSD17B1
SCHEMBL1303055 0.83 PDE10A (0.71) PDE10ABCL2MCL1BADHSD17B1
SCHEMBL2463753 0.82 PDE10A (1.00) PDE10ABCL2MCL1BAD
SCHEMBL14878647 0.80 PDE10A (0.75) PDE10ABCL2MCL1BAD
SCHEMBL11989102 0.80 PDE10A (0.61) PDE10ABCL2MCL1BADHSD17B1
SCHEMBL2458510 0.79 PDE10A (1.00) PDE10ABCL2MCL1BAD
SCHEMBL2459577 0.79 PDE10A (1.00) PDE10ABCL2MCL1BAD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759532-B2 Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2014-06-24 — — US disclosed
US-20130079325-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS ALLEN JENNIFER R (US) 2013-03-28 — — US disclosed
US-8318718-B2 Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-11-27 — — US disclosed
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMEN INC. (US) 2010-05-20 — — 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 (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-20130079325-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A PDE10A 3/4885BCL2 3457/4885MCL1 2491/4885
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A PDE10A 3/4885BCL2 3457/4885MCL1 2491/4885

“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.

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