SCHEMBL6842878

SCHEMBL6842878

CC(=O)Nc1cc(-c2nc(-c3ccccc3C)c(-c3nnc[nH]3)s2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.49
PIK3C3 Q8NEB9 7/20 0.40
PIP5K1C O60331 1/20 0.39
PIK3CA P42336 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
GSK3B P49841 3/20 0.38
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
NUDT1 P36639 2/20 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
SCHEMBL954822 0.90 MAPK14 (0.45) MAPK14PIK3C3PIP5K1CPIK3CAMAPK8
SCHEMBL953124 0.89 MAPK14 (0.47) MAPK14PIK3C3PIP5K1CPIK3CAMAPK8
SCHEMBL6845017 0.88 MAPK14 (0.49) MAPK14PIK3C3PIP5K1CPIK3CAMAPK8
SCHEMBL12947666 0.88 PIK3C3 (0.44) MAPK14PIK3C3PIP5K1CPIK3CAGSK3B
SCHEMBL6842879 0.86 GSK3B (0.41) MAPK14PIK3C3GSK3BCDC7DBF4
SCHEMBL16938040 0.86 MAPK14 (0.43) MAPK14PIK3C3GSK3BCDC7DBF4
SCHEMBL6842867 0.84 CDC7 (0.42) MAPK14PIK3C3GSK3BCDC7DBF4
SCHEMBL16850488 0.81 GSK3B (0.44) MAPK14PIK3C3PIP5K1CPIK3CAGSK3B
SCHEMBL6845097 0.80 PIK3C3 (0.39) MAPK14PIK3C3PIK3CACDC7DBF4
SCHEMBL16937935 0.79 MAPK14 (0.42) MAPK14MAPK8MAPK9CDC7DBF4

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 5 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-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

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 15/4885PIP5K1C 56/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 MAPK14 899/4885PIK3C3 61/4885PIP5K1C 198/4885

“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.