Sugi Predict

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SCHEMBL6842840

SCHEMBL6842840

CC(=O)Nc1cc(-c2nc(-c3ccc(C(C)(C)C#N)cc3)c(-c3ncc[nH]3)s2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIK3C3 Q8NEB9 4/20 0.40
▸ MAPK14 Q16539 13/20 0.39
▸ AAK1 Q2M2I8 1/20 0.38
▸ GSK3B P49841 2/20 0.38
▸ CDC7 O00311 1/20 0.36
▸ DBF4 Q9UBU7 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.35
▸ MAPK13 O15264 1/20 0.35
▸ MAPK12 P53778 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ MAPK11 Q15759 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35

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
SCHEMBL6842863 0.88 MAPK14 (0.42) PIK3C3MAPK14GSK3BMAPK13MAPK12
SCHEMBL6842868 0.86 MAPK14 (0.47) PIK3C3MAPK14GSK3BMAPK13MAPK12
SCHEMBL6845075 0.86 PIK3C3 (0.45) PIK3C3MAPK14GSK3BMAPK13MAPK12
SCHEMBL6842861 0.86 PIK3C3 (0.45) PIK3C3MAPK14GSK3BMAPK13MAPK12
SCHEMBL6842841 0.86 PIK3C3 (0.47) PIK3C3MAPK14GSK3BCDC7DBF4
SCHEMBL6842856 0.85 KDM4E (0.45) PIK3C3MAPK14GSK3BMAPK13MAPK12
SCHEMBL952377 0.85 MAPK14 (0.48) PIK3C3MAPK14MAPK13MAPK12MAPK11
SCHEMBL6842845 0.83 MAPK14 (0.43) PIK3C3MAPK14GSK3BMAPK13MAPK12
SCHEMBL6845099 0.83 PIK3C3 (0.43) PIK3C3MAPK14GSK3BMAPK13MAPK12
SCHEMBL13257572 0.83 MAPK14 (0.44) PIK3C3MAPK14GSK3BMAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 — — US disclosed
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 — — US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 — — US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 — — US disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 — — US disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 — — US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 — — US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 — — US disclosed
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 — — 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 (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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 PIK3C3 15/4885MAPK14 102/4885AAK1 1810/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 PIK3C3 61/4885MAPK14 899/4885AAK1 2395/4885

“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.