SCHEMBL6842853

SCHEMBL6842853

CC(=O)Nc1cc(-c2nc(-c3cccc(C)c3)c(-c3ncc[nH]3)s2)ccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.61
IKBKB O14920 1/20 0.49
MAPK13 O15264 1/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
EGFR P00533 1/20 0.49
MAPK1 P28482 1/20 0.49
FLT4 P35916 1/20 0.49
KDR P35968 1/20 0.49
FRK P42685 1/20 0.49
MAPK8 P45983 1/20 0.49
MAPK9 P45984 1/20 0.49
CSNK1A1 P48729 1/20 0.49
CSNK1D P48730 1/20 0.49
CSNK1E P49674 1/20 0.49
MAPK12 P53778 1/20 0.49
CSNK1G2 P78368 1/20 0.49
PTK6 Q13882 1/20 0.49
ERBB4 Q15303 1/20 0.49
MAPK11 Q15759 1/20 0.49

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
SCHEMBL6845136 0.91 MAPK14 (0.49) MAPK14EGFRKDM4EMEN1NPC1
SCHEMBL952377 0.91 MAPK14 (0.48) MAPK14IKBKBMAPK13PRKD3MAP4K4
SCHEMBL6842823 0.90 MAPK14 (0.49) MAPK14MAPK13EGFRMAPK12MAPK11
SCHEMBL6842883 0.90 MAPK14 (0.49) MAPK14IKBKBMAPK13PRKD3MAP4K4
SCHEMBL6842868 0.90 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL16938026 0.88 ADORA1 (0.53) MAPK14KDM4ENPC1ALDH1A1HTT
SCHEMBL16938039 0.88 MAPK14 (0.46) MAPK14MAPK8MAPK9PIK3C3
SCHEMBL6842835 0.88 MAPK14 (0.51) MAPK14ALDH1A1SMN1; SMN2PIK3C3ADORA2A
SCHEMBL6842841 0.88 PIK3C3 (0.47) MAPK14MAPK13MAPK12MAPK11PIK3C3
SCHEMBL13256721 0.86 PIK3C3 (0.44) MAPK14PIK3C3

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 102/4885IKBKB 419/4885MAPK13 119/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 MAPK14 899/4885IKBKB 372/4885MAPK13 624/4885

“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.