SCHEMBL5099882

SCHEMBL5099882

COc1cccc(-c2cccc(CNc3nccc(-c4ccc(C(N)=O)cc4)n3)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 5/20 0.60
DYRK1A Q13627 4/20 0.60
CLK1 P49759 3/20 0.60
DYRK1B Q9Y463 3/20 0.59
CAMKK2 Q96RR4 5/20 0.56
PIK3CG P48736 3/20 0.56
MAPK8 P45983 3/20 0.54
GSK3B P49841 2/20 0.54
HDAC3 O15379 1/20 0.53
NCOR1 O75376 1/20 0.53
HDAC2 Q92769 1/20 0.53
CLK2 P49760 2/20 0.53
ROCK2 O75116 1/20 0.52
MKNK1 Q9BUB5 2/20 0.51
HDAC1 Q13547 2/20 0.50
CHEK2 O96017 1/20 0.50
MAPK10 P53779 1/20 0.49
MEN1 O00255 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48

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
SCHEMBL5089194 0.95 CLK4 (0.58) CLK4DYRK1ACLK1DYRK1BCAMKK2
SCHEMBL5092037 0.88 CAMKK2 (0.58) CLK4DYRK1ACLK1DYRK1BCAMKK2
SCHEMBL5091547 0.86 CAMKK2 (0.53) CLK4DYRK1ACLK1DYRK1BCAMKK2
SCHEMBL5094176 0.86 CAMKK2 (0.58) CAMKK2PIK3CGMAPK8GSK3BHDAC3
SCHEMBL27576335 0.86 CAMKK2 (0.61) CLK4DYRK1ACLK1DYRK1BCAMKK2
SCHEMBL5092092 0.84 CLK4 (0.69) CLK4DYRK1ACLK1DYRK1BCAMKK2
SCHEMBL5089479 0.83 CAMKK2 (0.61) CAMKK2PIK3CGMAPK8GSK3BHDAC1
SCHEMBL5094438 0.83 CAMKK2 (0.54) CLK4DYRK1ACLK1DYRK1BCAMKK2
SCHEMBL5092372 0.83 CAMKK2 (0.54) CLK4DYRK1ACLK1DYRK1BCAMKK2
SCHEMBL5089234 0.83 DYRK1A (0.64) CLK4DYRK1ACLK1DYRK1BCAMKK2

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-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
EP-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP 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
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO 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 CLK4 1080/4885DYRK1A 325/4885CLK1 787/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB CLK4 1015/4885DYRK1A 319/4885CLK1 731/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB CLK4 1015/4885DYRK1A 319/4885CLK1 731/4885

“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.