SCHEMBL5094187

SCHEMBL5094187

COc1cccc(-c2c[nH]c(CCCNc3nccc(-c4ccc(C(N)=O)cc4)n3)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 5/20 0.48
PIK3CG P48736 5/20 0.48
DYRK1A Q13627 2/20 0.48
CLK4 Q9HAZ1 2/20 0.48
DYRK1B Q9Y463 1/20 0.48
MAPK8 P45983 3/20 0.47
CLK1 P49759 1/20 0.47
GSK3B P49841 2/20 0.46
MKNK1 Q9BUB5 2/20 0.44
MKNK2 Q9HBH9 2/20 0.44
MAPK10 P53779 1/20 0.43
PIK3CA P42336 2/20 0.43
PIK3CB P42338 2/20 0.43
CHEK2 O96017 1/20 0.42
HDAC3 O15379 1/20 0.42
NCOR1 O75376 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC1 Q13547 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5089409 0.89 MAPK8 (0.54) CAMKK2PIK3CGMAPK8GSK3BMKNK1
SCHEMBL5092372 0.83 CAMKK2 (0.54) CAMKK2PIK3CGDYRK1ACLK4DYRK1B
SCHEMBL5091547 0.82 CAMKK2 (0.53) CAMKK2PIK3CGDYRK1ACLK4DYRK1B
SCHEMBL7019739 0.81 CAMKK2 (0.47) CAMKK2PIK3CGDYRK1ACLK4DYRK1B
SCHEMBL5099882 0.80 CLK4 (0.60) CAMKK2PIK3CGDYRK1ACLK4DYRK1B
SCHEMBL5094703 0.80 MAP4K4 (0.44) CAMKK2PIK3CGDYRK1BMAPK8GSK3B
SCHEMBL5089194 0.79 CLK4 (0.58) CAMKK2PIK3CGDYRK1ACLK4DYRK1B
SCHEMBL5093665 0.78 CAMKK2 (0.62) CAMKK2PIK3CGDYRK1ACLK4DYRK1B
SCHEMBL5094646 0.78 MAPK8 (0.42) CAMKK2PIK3CGMAPK8GSK3BMKNK1
SCHEMBL5093897 0.78 MAPK8 (0.47) CAMKK2PIK3CGMAPK8GSK3BMAPK10

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 US disclosed
US-7045519-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-16 US disclosed
US-7037918-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-02 US disclosed
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-04-27 US disclosed
US-20030130289-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2003-07-10 US disclosed
US-6489344-B1 FOR TREATMENT DIABETES IN A HUMAN OR ANIMAL SUBJECT CHIRON CORPORATION 2002-12-03 US disclosed
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2002-10-24 US disclosed
US-6417185-B1 HETEROCYCLIC ENZYME INHIBITORS CHIRON CORPORATION 2002-07-09 US disclosed
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 WO 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 (3 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-20030130289-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB CAMKK2 692/4885PIK3CG 157/4885DYRK1A 325/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB CAMKK2 707/4885PIK3CG 143/4885DYRK1A 319/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB CAMKK2 707/4885PIK3CG 143/4885DYRK1A 319/4885

“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.