SCHEMBL12591783

SCHEMBL12591783

O=C(c1ccc(Oc2nccnc2Cl)cc1)c1nc2cc(F)ccc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 10/20 0.53
▸ BCL2 P10415 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ BAD Q92934 1/20 0.41
▸ HSD17B1 P14061 4/20 0.40
▸ HSD17B2 P37059 4/20 0.40
▸ DYRK1A Q13627 1/20 0.37
▸ TUBB4A P04350 1/20 0.37
▸ TUBB P07437 1/20 0.37
▸ TUBA3C P0DPH7 1/20 0.37
▸ TUBA1B P68363 1/20 0.37
▸ TUBA4A P68366 1/20 0.37
▸ TUBB4B P68371 1/20 0.37
▸ TUBB3 Q13509 1/20 0.37
▸ TUBB2A Q13885 1/20 0.37
▸ TUBB8 Q3ZCM7 1/20 0.37
▸ TUBA3E Q6PEY2 1/20 0.37
▸ TUBA1A Q71U36 1/20 0.37
▸ TUBA1C Q9BQE3 1/20 0.37
▸ TUBB6 Q9BUF5 1/20 0.37

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
SCHEMBL12590884 0.92 PDE10A (0.53) PDE10ABCL2MCL1BADHSD17B1
SCHEMBL1303055 0.85 PDE10A (0.71) PDE10ABCL2MCL1BADHSD17B1
SCHEMBL12591778 0.80 PDE10A (0.51) PDE10ABCL2MCL1BADHSD17B1
SCHEMBL1304271 0.77 PDE10A (0.51) PDE10A
SCHEMBL12591771 0.76 PDE10A (0.51) PDE10ABCL2MCL1BADHSD17B1
SCHEMBL1304046 0.75 PDE10A (0.78) PDE10A
SCHEMBL11989041 0.72 PDE10A (0.71) PDE10ABCL2MCL1BADHSD17B1
SCHEMBL14020213 0.69 HSD17B1 (0.59) MCL1HSD17B1HSD17B2DYRK1ACYP1A2
SCHEMBL2459800 0.69 PDE10A (1.00) PDE10ABCL2MCL1BADHSD17B1
SCHEMBL13330628 0.69 PDE10A (0.77) 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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