SCHEMBL958342

SCHEMBL958342

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 14/20 0.42
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
AAK1 Q2M2I8 5/20 0.40
GAK O14976 1/20 0.38
DAPK3 O43293 1/20 0.38
JAK2 O60674 1/20 0.38
ROCK2 O75116 1/20 0.38
DAPK1 P53355 1/20 0.38
TYRO3 Q06418 1/20 0.38
DMPK Q09013 1/20 0.38
HIPK4 Q8NE63 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
BMP2K Q9NSY1 1/20 0.38
BCHE P06276 1/20 0.36
ACHE P22303 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
SCHEMBL954194 0.89 GSK3B (0.41) GSK3BMAPK8MAPK9AAK1GAK
SCHEMBL954075 0.89 MAPK14 (0.45) GSK3BMAPK8DAPK3ROCK2
SCHEMBL957459 0.89 GSK3B (0.41) GSK3BMAPK8
SCHEMBL953912 0.88 MAPK14 (0.42) GSK3B
SCHEMBL953340 0.87 MAPK14 (0.49) GSK3BMAPK8MAPK9BCHEACHE
SCHEMBL954231 0.86 GSK3B (0.41) GSK3BAAK1GAKDAPK3JAK2
SCHEMBL954690 0.85 RXFP1 (0.42) GSK3B
SCHEMBL16937940 0.85 GSK3B (0.39) GSK3B
SCHEMBL953538 0.85 MAPK14 (0.50) GSK3BMAPK8BCHEACHE
SCHEMBL952216 0.85 POLB (0.44)

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 62/4885MAPK8 113/4885MAPK9 53/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 GSK3B 80/4885MAPK8 554/4885MAPK9 479/4885

“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.