SCHEMBL954231

SCHEMBL954231

CCOc1nc(-c2ccnc(NC(=O)C(C)(C)C)c2)sc1-c1nnc[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.41
AAK1 Q2M2I8 5/20 0.37
MKNK2 Q9HBH9 4/20 0.37
BMP2K Q9NSY1 4/20 0.37
GAK O14976 3/20 0.37
DAPK1 P53355 3/20 0.37
HIPK4 Q8NE63 3/20 0.37
DAPK3 O43293 2/20 0.37
JAK2 O60674 2/20 0.37
ROCK2 O75116 2/20 0.37
TYRO3 Q06418 1/20 0.37
DMPK Q09013 1/20 0.37
MKNK1 Q9BUB5 2/20 0.35
MYLK2 Q9H1R3 2/20 0.35
CIT O14578 1/20 0.35
MAP2K1 Q02750 1/20 0.35
PKN2 Q16513 1/20 0.35
TLK2 Q86UE8 1/20 0.35
STK39 Q9UEW8 1/20 0.35
TLK1 Q9UKI8 1/20 0.35

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
SCHEMBL953912 0.90 MAPK14 (0.42) GSK3B
SCHEMBL954075 0.87 MAPK14 (0.45) GSK3BDAPK3ROCK2PKN2
SCHEMBL954194 0.87 GSK3B (0.41) GSK3BAAK1MKNK2BMP2KGAK
SCHEMBL16937940 0.87 GSK3B (0.39) GSK3B
SCHEMBL957459 0.86 GSK3B (0.41) GSK3B
SCHEMBL16937960 0.86 MAPK14 (0.51) GSK3B
SCHEMBL958342 0.86 GSK3B (0.42) GSK3BAAK1MKNK2BMP2KGAK
SCHEMBL952504 0.86 MAPK14 (0.42) GSK3B
SCHEMBL954376 0.86 MAPK14 (0.42) GSK3B
SCHEMBL953340 0.85 MAPK14 (0.49) GSK3B

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 12 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
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

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 62/4885AAK1 1810/4885MKNK2 292/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 GSK3B 80/4885AAK1 2395/4885MKNK2 507/4885

“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.