SCHEMBL955048

SCHEMBL955048

CC(=O)Nc1cc(-c2nc(-c3ccc(Cl)cc3Cl)c(-c3nc(C)c[nH]3)s2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 11/20 0.42
CDC7 O00311 3/20 0.42
DBF4 Q9UBU7 3/20 0.42
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
MAPK14 Q16539 3/20 0.41
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
CCNT1 O60563 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CSNK1D P48730 1/20 0.37
CDK9 P50750 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
GSK3B P49841 1/20 0.36
TGFBR1 P36897 1/20 0.36
TGFBR2 P37173 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
SCHEMBL13256690 0.91 CDC7 (0.43) PIK3C3CDC7DBF4CCNE1CDK2
SCHEMBL3788305 0.89 CDC7 (0.40) PIK3C3CDC7DBF4CCNE1CDK2
SCHEMBL958242 0.88 CDC7 (0.39) PIK3C3CDC7DBF4CCNE1CDK2
SCHEMBL954402 0.88 CDC7 (0.43) PIK3C3CDC7DBF4CCNE1CDK2
SCHEMBL6842867 0.87 CDC7 (0.42) PIK3C3CDC7DBF4CCNE1CDK2
SCHEMBL6845076 0.86 PIK3C3 (0.42) PIK3C3CDC7DBF4CCNE1CDK2
SCHEMBL16938040 0.82 MAPK14 (0.43) PIK3C3CDC7DBF4CCNE1CDK2
SCHEMBL6845132 0.81 PIK3C3 (0.38) PIK3C3CDC7DBF4MAPK14GSK3B
SCHEMBL6842830 0.81 PIK3C3 (0.42) PIK3C3CDC7DBF4MAPK14GSK3B
SCHEMBL6842829 0.79 CDC7 (0.42) PIK3C3CDC7DBF4CCNE1CDK2

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 PIK3C3 15/4885CDC7 601/4885DBF4 3288/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 PIK3C3 61/4885CDC7 1063/4885DBF4 3779/4885

“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.