SCHEMBL6842830

SCHEMBL6842830

CC(=O)Nc1cc(-c2nc(-c3cc(Cl)ccc3Cl)c(-c3ncc[nH]3)s2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 10/20 0.42
MAPK14 Q16539 4/20 0.38
RORC P51449 2/20 0.38
GSK3B P49841 2/20 0.37
TGFBR1 P36897 1/20 0.37
TGFBR2 P37173 1/20 0.37
CDC7 O00311 1/20 0.37
DBF4 Q9UBU7 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL954402 0.93 CDC7 (0.43) PIK3C3MAPK14GSK3BTGFBR1TGFBR2
SCHEMBL16938031 0.92 MAPK14 (0.43) PIK3C3MAPK14GSK3BCDC7DBF4
SCHEMBL6842866 0.90 PIK3C3 (0.42) PIK3C3MAPK14GSK3BCDC7DBF4
SCHEMBL16938036 0.90 MAPK14 (0.42) PIK3C3MAPK14RORCGSK3BCDC7
SCHEMBL6842848 0.90 PIK3C3 (0.39) PIK3C3MAPK14RORCGSK3BCDC7
SCHEMBL6845046 0.90 PIK3C3 (0.39) PIK3C3MAPK14GSK3BTGFBR1CDC7
SCHEMBL6842856 0.89 KDM4E (0.45) PIK3C3MAPK14GSK3BTGFBR1TGFBR2
SCHEMBL6842818 0.87 MAPK14 (0.43) PIK3C3MAPK14GSK3BCDC7DBF4
SCHEMBL6842823 0.86 MAPK14 (0.49) PIK3C3MAPK14GSK3BKDM4EKMT2A
SCHEMBL16938028 0.86 MAPK14 (0.46) PIK3C3MAPK14GSK3B

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 102/4885RORC 505/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 PIK3C3 61/4885MAPK14 899/4885RORC 767/4885

“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.