SCHEMBL6842868

SCHEMBL6842868

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.47
PIK3C3 Q8NEB9 5/20 0.45
ADORA3 P0DMS8 1/20 0.43
GSK3B P49841 3/20 0.42
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
NISCH Q9Y2I1 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

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
SCHEMBL6845075 0.92 PIK3C3 (0.45) MAPK14PIK3C3GSK3BMEN1GAA
SCHEMBL6842861 0.92 PIK3C3 (0.45) MAPK14PIK3C3GSK3BMAPK13MAPK12
SCHEMBL6842841 0.92 PIK3C3 (0.47) MAPK14PIK3C3ADORA3GSK3BMAPK13
SCHEMBL6842856 0.91 KDM4E (0.45) MAPK14PIK3C3ADORA3GSK3BMAPK13
SCHEMBL952377 0.91 MAPK14 (0.48) MAPK14PIK3C3ADORA3MAPTMAPK13
SCHEMBL6845043 0.90 MAPK14 (0.49) MAPK14PIK3C3ADORA3GSK3BMEN1
SCHEMBL6845099 0.90 PIK3C3 (0.43) MAPK14PIK3C3GSK3BMAPK13MAPK12
SCHEMBL13257572 0.90 MAPK14 (0.44) MAPK14PIK3C3GSK3BMAPK13MAPK12
SCHEMBL6842845 0.90 MAPK14 (0.43) MAPK14PIK3C3GSK3BMAPK13MAPK12
SCHEMBL6842853 0.90 MAPK14 (0.61) MAPK14PIK3C3MEN1MAPTHTT

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 102/4885PIK3C3 15/4885ADORA3 2550/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 MAPK14 899/4885PIK3C3 61/4885ADORA3 1419/4885

“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.