SCHEMBL5100707

SCHEMBL5100707

NC(=O)c1ccc(-c2ccnc(NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 5/20 0.49
MAPK8 P45983 3/20 0.49
VNN1 O95497 3/20 0.49
GSK3B P49841 2/20 0.49
PIK3CG P48736 2/20 0.49
MAPK10 P53779 1/20 0.49
MAP4K4 O95819 1/20 0.45
SYK P43405 1/20 0.45
AURKA O14965 2/20 0.44
RPS6KB1 P23443 1/20 0.44
HDAC1 Q13547 4/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC3 O15379 1/20 0.44
NCOR1 O75376 1/20 0.44
HDAC2 Q92769 1/20 0.44
JAK2 O60674 1/20 0.44
MAP2K4 P45985 1/20 0.43
KDM1A O60341 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
SCHEMBL5093362 0.90 VNN1 (0.55) CAMKK2MAPK8VNN1GSK3BPIK3CG
SCHEMBL5100280 0.90 HDAC1 (0.53) CAMKK2MAPK8VNN1GSK3BPIK3CG
SCHEMBL5094134 0.86 CAMKK2 (0.54) CAMKK2MAPK8VNN1GSK3BPIK3CG
SCHEMBL5100290 0.83 DYRK1A (0.57) CAMKK2MAPK8GSK3BPIK3CGMAPK10
Benzamide SCHEMBL7855950 0.81 VNN1 (0.49) CAMKK2MAPK8VNN1GSK3BPIK3CG
SCHEMBL5091711 0.81 MAPK8 (0.55) CAMKK2MAPK8GSK3BPIK3CGMAPK10
SCHEMBL5100599 0.81 CAMKK2 (0.54) CAMKK2MAPK8VNN1GSK3BPIK3CG
SCHEMBL5094681 0.80 MAPK8 (0.54) CAMKK2MAPK8GSK3BPIK3CGMAPK10
SCHEMBL5099819 0.79 HDAC1 (0.56) CAMKK2MAPK8GSK3BPIK3CGMAPK10
SCHEMBL5089391 0.79 MAPK8 (0.46) CAMKK2MAPK8GSK3BPIK3CGMAPK10

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 CAMKK2 692/4885MAPK8 878/4885VNN1 4081/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB CAMKK2 707/4885MAPK8 849/4885VNN1 4035/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB CAMKK2 707/4885MAPK8 849/4885VNN1 4035/4885

“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.