SCHEMBL12591771

SCHEMBL12591771

O=C(c1nc2ccccc2s1)c1ccc(Oc2nccnc2Cl)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 6/20 0.51
▸ BCL2 P10415 1/20 0.47
▸ MCL1 Q07820 1/20 0.47
▸ BAD Q92934 1/20 0.47
▸ HSD17B1 P14061 4/20 0.45
▸ HSD17B2 P37059 4/20 0.45
▸ ALDH1A1 P00352 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ GALK1 P51570 1/20 0.39
▸ LTA4H P09960 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL1303055 0.83 PDE10A (0.71) PDE10ABCL2MCL1BADHSD17B1
SCHEMBL1304337 0.76 PDE10A (0.49) PDE10ANPC1NFKB1RAB9ANFKB2
SCHEMBL12590884 0.76 PDE10A (0.53) PDE10ABCL2MCL1BADHSD17B1
SCHEMBL12591783 0.76 PDE10A (0.53) PDE10ABCL2MCL1BADHSD17B1
SCHEMBL12591778 0.74 PDE10A (0.51) PDE10ABCL2MCL1BADHSD17B1
SCHEMBL11989041 0.70 PDE10A (0.71) PDE10ABCL2MCL1BADHSD17B1
SCHEMBL1903808 0.69 CYP1A2 (0.64) LTA4HEPHX2SMN1; SMN2
SCHEMBL1304689 0.68 PDE10A (0.70) PDE10AMEN1KMT2ANPC1NFKB1
SCHEMBL13330628 0.68 PDE10A (0.77) PDE10ABCL2MCL1BADHSD17B1
SCHEMBL2459800 0.68 PDE10A (1.00) 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-8329700-B2 Pyrazine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-12-11 — — US disclosed
US-8329700-B2 Pyrazine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-12-11 — — US disclosed
US-20110160182-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2011-06-30 — — US disclosed
US-20110160182-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2011-06-30 — — 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-20110160182-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A PDE10A 1/4885BCL2 2049/4885MCL1 2224/4885

“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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