SCHEMBL13330630

SCHEMBL13330630

Cc1cncnc1Oc1ccc(C(=O)c2nc3ccccc3s2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 7/20 0.62
▸ BCL2 P10415 1/20 0.52
▸ MCL1 Q07820 1/20 0.52
▸ BAD Q92934 1/20 0.52
▸ HSD17B1 P14061 2/20 0.45
▸ HSD17B2 P37059 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL13330628 0.85 PDE10A (0.77) PDE10ABCL2MCL1BADHSD17B1
SCHEMBL11989041 0.81 PDE10A (0.71) PDE10ABCL2MCL1BADHSD17B1
SCHEMBL1303055 0.77 PDE10A (0.71) PDE10ABCL2MCL1BADHSD17B1
SCHEMBL13330636 0.77 PDE10A (0.66) PDE10A
SCHEMBL11007700 0.76 KMT2A (0.66) PDE10ABCL2MCL1BADHSD17B1
SCHEMBL2463753 0.76 PDE10A (1.00) PDE10ABCL2MCL1BAD
SCHEMBL2459800 0.76 PDE10A (1.00) PDE10ABCL2MCL1BADHSD17B1
SCHEMBL14878695 0.76 PDE10A (0.77) PDE10ABCL2MCL1BADHSD17B1
SCHEMBL13330676 0.76 PDE10A (0.67) PDE10ASMN1; SMN2NPC1MAPTRAB9A
SCHEMBL11989060 0.75 HSD17B1 (0.60) PDE10ABCL2MCL1BADHSD17B1

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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