Sugi Predict

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SCHEMBL6842863

SCHEMBL6842863

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 14/20 0.42
▸ GSK3B P49841 4/20 0.42
▸ PIK3C3 Q8NEB9 3/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ TGFBR1 P36897 1/20 0.41
▸ RIPK3 Q9Y572 1/20 0.40
▸ MAPK13 O15264 1/20 0.39
▸ MAPK12 P53778 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ MAPK11 Q15759 1/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 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
SCHEMBL6842841 0.91 PIK3C3 (0.47) MAPK14GSK3BPIK3C3ADORA3MAPK13
SCHEMBL6842835 0.90 MAPK14 (0.51) MAPK14GSK3BPIK3C3TGFBR1
SCHEMBL6842868 0.89 MAPK14 (0.47) MAPK14GSK3BPIK3C3ADORA3MAPK13
SCHEMBL6842861 0.89 PIK3C3 (0.45) MAPK14GSK3BPIK3C3MAPK13MAPK12
SCHEMBL6845075 0.89 PIK3C3 (0.45) MAPK14GSK3BPIK3C3MAPK13MAPK12
SCHEMBL6842856 0.88 KDM4E (0.45) MAPK14GSK3BPIK3C3ADORA3TGFBR1
SCHEMBL6842840 0.88 PIK3C3 (0.40) MAPK14GSK3BPIK3C3MAPK13MAPK12
SCHEMBL952377 0.88 MAPK14 (0.48) MAPK14PIK3C3ADORA3MAPK13MAPK12
SCHEMBL6845099 0.86 PIK3C3 (0.43) MAPK14GSK3BPIK3C3MAPK13MAPK12
SCHEMBL6842845 0.86 MAPK14 (0.43) MAPK14GSK3BPIK3C3MAPK13MAPK12

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 MAPK14 102/4885GSK3B 62/4885PIK3C3 15/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 MAPK14 899/4885GSK3B 80/4885PIK3C3 61/4885

“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.