SCHEMBL6842879

SCHEMBL6842879

COc1ncccc1-c1nc(-c2ccnc(NC(C)=O)c2)sc1-c1nnc[nH]1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.41
PIK3C3 Q8NEB9 7/20 0.39
MAPK14 Q16539 2/20 0.39
TGFBR1 P36897 4/20 0.38
TGFBR2 P37173 3/20 0.38
EIF4E P06730 1/20 0.37
RORC P51449 1/20 0.36
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 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
SCHEMBL16938042 0.89 GSK3B (0.42) GSK3BPIK3C3MAPK14TGFBR1TGFBR2
SCHEMBL6842878 0.86 MAPK14 (0.49) GSK3BPIK3C3MAPK14CDC7DBF4
SCHEMBL13257577 0.84 DYRK1A (0.38) GSK3BMAPK14EIF4ECDC7DBF4
SCHEMBL953124 0.84 MAPK14 (0.47) PIK3C3MAPK14
SCHEMBL12947666 0.83 PIK3C3 (0.44) GSK3BPIK3C3MAPK14TGFBR1CDC7
SCHEMBL954822 0.81 MAPK14 (0.45) GSK3BPIK3C3MAPK14TGFBR1TGFBR2
SCHEMBL6842867 0.81 CDC7 (0.42) GSK3BPIK3C3MAPK14TGFBR1TGFBR2
SCHEMBL16938040 0.81 MAPK14 (0.43) GSK3BPIK3C3MAPK14CDC7DBF4
SCHEMBL953912 0.79 MAPK14 (0.42) GSK3BPIK3C3MAPK14CDC7DBF4
SCHEMBL16850488 0.76 GSK3B (0.44) GSK3BPIK3C3MAPK14

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 GSK3B 62/4885PIK3C3 15/4885MAPK14 102/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 GSK3B 80/4885PIK3C3 61/4885MAPK14 899/4885

“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.