SCHEMBL6842866

SCHEMBL6842866

CC(=O)Nc1cc(-c2nc(-c3ccccc3Cl)c(-c3ncc[nH]3)s2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 8/20 0.42
MAPK14 Q16539 5/20 0.41
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
CDC7 O00311 2/20 0.39
DBF4 Q9UBU7 2/20 0.39
PIK3CA P42336 2/20 0.39
PIP5K1C O60331 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
GSK3B P49841 2/20 0.38

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
SCHEMBL6842830 0.90 PIK3C3 (0.42) PIK3C3MAPK14CDC7DBF4GSK3B
SCHEMBL954402 0.90 CDC7 (0.43) PIK3C3MAPK14CDC7DBF4GSK3B
SCHEMBL6845017 0.90 MAPK14 (0.49) PIK3C3MAPK14CDC7DBF4PIK3CA
SCHEMBL16938031 0.89 MAPK14 (0.43) PIK3C3MAPK14CDC7DBF4GSK3B
SCHEMBL952377 0.88 MAPK14 (0.48) PIK3C3MAPK14PIK3CAPIP5K1C
SCHEMBL16938036 0.87 MAPK14 (0.42) PIK3C3MAPK14CDC7DBF4GSK3B
SCHEMBL12947665 0.87 CDC7 (0.45) PIK3C3MAPK14CDC7DBF4PIK3CA
SCHEMBL6842848 0.87 PIK3C3 (0.39) PIK3C3MAPK14CDC7DBF4GSK3B
SCHEMBL6845046 0.87 PIK3C3 (0.39) PIK3C3MAPK14CDC7DBF4PIK3CA
SCHEMBL6842818 0.86 MAPK14 (0.43) PIK3C3MAPK14CDC7DBF4GSK3B

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 8 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

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 102/4885JAK2 14/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 PIK3C3 61/4885MAPK14 899/4885JAK2 44/4885

“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.