SCHEMBL12274609

SCHEMBL12274609

O=C1C=C(NC2CCCCC2)C(c2ccc(N3CCOCC3)cc2)N1c1ccc2[nH]cnc2c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 6/20 0.65
▸ PIK3CD O00329 1/20 0.44
▸ PIK3CA P42336 1/20 0.44
▸ PIK3CB P42338 1/20 0.44
▸ TTK P33981 7/20 0.43
▸ ADORA3 P0DMS8 5/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ AURKA O14965 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ TYK2 P29597 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ AURKC Q9UQB9 1/20 0.43
▸ ALOX5 P09917 2/20 0.39

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
SCHEMBL12273938 0.89 QPCT (0.61) QPCTPIK3CDPIK3CAPIK3CB
SCHEMBL12274590 0.87 QPCT (0.48) QPCTADORA3
SCHEMBL12274090 0.85 QPCT (0.88) QPCTPIK3CDPIK3CAPIK3CB
SCHEMBL12274087 0.85 QPCT (0.80) QPCTPIK3CDPIK3CAPIK3CB
SCHEMBL12274785 0.84 QPCT (0.65) QPCTPIK3CDPIK3CAPIK3CB
SCHEMBL17480362 0.84 QPCT (0.60) QPCTPIK3CDPIK3CAPIK3CBTTK
SCHEMBL12274111 0.83 QPCT (0.71) QPCTPIK3CDPIK3CAPIK3CB
SCHEMBL12274884 0.81 QPCT (0.61) QPCTPIK3CDPIK3CAPIK3CB
SCHEMBL12456210 0.81 QPCT (0.61) QPCTPIK3CDPIK3CAPIK3CB
SCHEMBL12274712 0.81 QPCT (0.74) QPCTPIK3CDPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2686313-B1 BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2016-02-03 — — EP claimed
EP-2686313-B1 BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2016-02-03 — — EP disclosed
EP-2686313-B1 BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2016-02-03 — — EP disclosed
EP-2686313-A1 BENZ IMIDAZOLE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2014-01-22 — — EP disclosed
US-8530670-B2 Inhibitors PROBIODRUG AG (DE) 2013-09-10 — — US disclosed
US-8530670-B2 Inhibitors PROBIODRUG AG (DE) 2013-09-10 — — US disclosed
US-8530670-B2 Inhibitors PROBIODRUG AG (DE) 2013-09-10 — — US disclosed
US-20120237475-A1 Novel Inhibitors PROBIODRUG AG (DE) 2012-09-20 — — US disclosed
US-20120237475-A1 Novel Inhibitors PROBIODRUG AG (DE) 2012-09-20 — — US disclosed
US-20120237475-A1 Novel Inhibitors PROBIODRUG AG (DE) 2012-09-20 — — US disclosed
WO-2012123563-A1 BENZ IMIDAZOLE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2012-09-20 — — WO 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-20120237475-A1 Novel Inhibitors GLS, NQO2, GLS2 QPCT 5/4885PIK3CD 2331/4885PIK3CA 2500/4885

“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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