SCHEMBL954822

SCHEMBL954822

CC(=O)Nc1cc(-c2nc(-c3c(C)cccc3C)c(-c3nnc[nH]3)s2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.45
PIK3C3 Q8NEB9 6/20 0.41
TGFBR1 P36897 1/20 0.40
TGFBR2 P37173 1/20 0.40
GSK3B P49841 3/20 0.39
PIP5K1C O60331 1/20 0.38
PIK3CA P42336 1/20 0.38
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 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
SCHEMBL6842878 0.90 MAPK14 (0.49) MAPK14PIK3C3GSK3BPIP5K1CPIK3CA
SCHEMBL16938039 0.88 MAPK14 (0.46) MAPK14PIK3C3TGFBR1TGFBR2GSK3B
SCHEMBL953124 0.88 MAPK14 (0.47) MAPK14PIK3C3PIP5K1CPIK3CAMAPK8
SCHEMBL16938040 0.83 MAPK14 (0.43) MAPK14PIK3C3GSK3B
SCHEMBL12947666 0.81 PIK3C3 (0.44) MAPK14PIK3C3TGFBR1GSK3BPIP5K1C
SCHEMBL6842879 0.81 GSK3B (0.41) MAPK14PIK3C3TGFBR1TGFBR2GSK3B
SCHEMBL6842867 0.81 CDC7 (0.42) MAPK14PIK3C3TGFBR1TGFBR2GSK3B
SCHEMBL16850488 0.80 GSK3B (0.44) MAPK14PIK3C3GSK3BPIP5K1CPIK3CA
SCHEMBL953912 0.79 MAPK14 (0.42) MAPK14PIK3C3GSK3B
SCHEMBL10308567 0.79 MAPK14 (0.42) MAPK14PIK3C3TGFBR1GSK3BPIP5K1C

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 15 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-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-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 EP 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-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
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
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 15/4885TGFBR1 529/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 MAPK14 899/4885PIK3C3 61/4885TGFBR1 501/4885

“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.