SCHEMBL5089350

SCHEMBL5089350

NC(=O)c1ccc(-c2ccnc(NCCc3cccc(Cl)c3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 2/20 0.53
CAMKK2 Q96RR4 5/20 0.52
MAPK8 P45983 3/20 0.52
GSK3B P49841 2/20 0.52
PIK3CG P48736 2/20 0.52
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
MAP4K4 O95819 2/20 0.51
AKT3 Q9Y243 1/20 0.49
MAPK10 P53779 1/20 0.49
MKNK1 Q9BUB5 1/20 0.44
PIM1 P11309 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
VNN1 O95497 1/20 0.43
CSNK2A2 P19784 1/20 0.43
CSNK2A1 P68400 1/20 0.43
HIF1A Q16665 1/20 0.43
JAK2 O60674 1/20 0.43

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
SCHEMBL5100273 0.90 CAMK2D (0.55) CAMK2DCAMKK2MAPK8GSK3BPIK3CG
SCHEMBL5091547 0.85 CAMKK2 (0.53) CAMKK2MAPK8GSK3BPIK3CGHDAC3
SCHEMBL5100290 0.82 DYRK1A (0.57) CAMK2DCAMKK2MAPK8GSK3BPIK3CG
SCHEMBL5095220 0.82 MAPK8 (0.58) CAMK2DCAMKK2MAPK8GSK3BPIK3CG
SCHEMBL5091983 0.81 MAPK8 (0.61) CAMK2DCAMKK2MAPK8GSK3BPIK3CG
SCHEMBL5100716 0.81 CAMKK2 (0.50) CAMKK2MAPK8GSK3BPIK3CGHDAC1
SCHEMBL27543365 0.80 PIM1 (0.48) CAMK2DCAMKK2MAPK8GSK3BPIK3CG
SCHEMBL5094010 0.79 DYRK1A (0.54) CAMKK2MAPK8GSK3BPIK3CGMAPK10
SCHEMBL5089243 0.78 MAPK8 (0.56) CAMK2DCAMKK2MAPK8GSK3BPIK3CG
SCHEMBL27576350 0.78 CAMKK2 (0.55) CAMKK2MAPK8GSK3BPIK3CGHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100506801-C Inhibitors of glycogen synthase kinase 3 CHIRON CORP (US) 2009-07-01 CN disclosed
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
CN-1592743-A Inhibitors of glycogen synthase kinase 3 CHIRON CORP (US) 2005-03-09 CN 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
CN-1312807-A Inhibitors of glycogen synthase kinase 3 CHIRON CORP (US) 2001-09-12 CN 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 CAMK2D 662/4885CAMKK2 692/4885MAPK8 878/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB CAMK2D 664/4885CAMKK2 707/4885MAPK8 849/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB CAMK2D 664/4885CAMKK2 707/4885MAPK8 849/4885

“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.