SCHEMBL5094010

SCHEMBL5094010

NC(=O)c1ccc(-c2ccnc(NCCc3ccc4c(c3)OCO4)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 10/20 0.54
CLK4 Q9HAZ1 9/20 0.54
CLK1 P49759 8/20 0.52
DYRK1B Q9Y463 8/20 0.52
CLK2 P49760 7/20 0.52
CLK3 P49761 3/20 0.52
CDK2 P24941 1/20 0.50
PDE5A O76074 1/20 0.46
AURKA O14965 1/20 0.46
RPS6KB1 P23443 1/20 0.46
MAPK8 P45983 2/20 0.45
PIK3CG P48736 1/20 0.45
GSK3B P49841 1/20 0.45
CAMKK2 Q96RR4 1/20 0.45
MAPK10 P53779 1/20 0.44
JAK2 O60674 1/20 0.44
CHEK2 O96017 1/20 0.44
KDM4E B2RXH2 2/20 0.44
RIPK2 O43353 1/20 0.44
PRKD3 O94806 1/20 0.44

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
SCHEMBL27543365 0.81 PIM1 (0.48) MAPK8PIK3CGGSK3BCAMKK2MAPK10
SCHEMBL5100716 0.80 CAMKK2 (0.50) MAPK8PIK3CGGSK3BCAMKK2MAPK10
SCHEMBL5089350 0.79 CAMK2D (0.53) MAPK8PIK3CGGSK3BCAMKK2MAPK10
SCHEMBL5094295 0.77 PIK3CG (0.47) MAPK8PIK3CGGSK3BCAMKK2MAPK10
SCHEMBL5091547 0.77 CAMKK2 (0.53) DYRK1ACLK4CLK1DYRK1BMAPK8
SCHEMBL5091983 0.76 MAPK8 (0.61) MAPK8PIK3CGGSK3BCAMKK2MAPK10
SCHEMBL5089243 0.74 MAPK8 (0.56) MAPK8PIK3CGGSK3BCAMKK2MAPK10
SCHEMBL5094681 0.73 MAPK8 (0.54) DYRK1ACLK4CLK1DYRK1BCLK2
SCHEMBL5095220 0.73 MAPK8 (0.58) MAPK8PIK3CGGSK3BCAMKK2MAPK10
SCHEMBL5099819 0.72 HDAC1 (0.56) DYRK1ACLK4CLK1DYRK1BCLK2

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-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

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 DYRK1A 325/4885CLK4 1080/4885CLK1 787/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB DYRK1A 319/4885CLK4 1015/4885CLK1 731/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB DYRK1A 319/4885CLK4 1015/4885CLK1 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.