SCHEMBL5091983

SCHEMBL5091983

NC(=O)c1ccc(-c2ccnc(NCCNc3ncccn3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.61
MAPK10 P53779 1/20 0.61
CAMKK2 Q96RR4 6/20 0.57
GSK3B P49841 3/20 0.57
PIK3CG P48736 3/20 0.57
MAP4K4 O95819 1/20 0.53
IKBKB O14920 2/20 0.51
CAMK2D Q13557 4/20 0.50
JAK2 O60674 1/20 0.50
PIM1 P11309 1/20 0.47
PIM2 Q9P1W9 1/20 0.47
CHUK O15111 1/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC3 O15379 2/20 0.46
NCOR1 O75376 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
VCP P55072 1/20 0.44
CYP3A4 P08684 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
SCHEMBL5093422 0.90 MAPK8 (0.57) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL5089243 0.87 MAPK8 (0.56) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL7844380 0.86 MAPK8 (0.53) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL5091989 0.84 MAPK8 (0.59) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL5089454 0.84 MAPK8 (0.53) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL5089550 0.83 MAPK8 (0.58) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL5095220 0.83 MAPK8 (0.58) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL5138882 0.83 MAPK8 (0.52) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL5094140 0.82 MAPK8 (0.48) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL5089145 0.82 CAMKK2 (0.55) MAPK8MAPK10CAMKK2GSK3BPIK3CG

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 15 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
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
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 MAPK8 878/4885MAPK10 1004/4885CAMKK2 692/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAPK8 849/4885MAPK10 974/4885CAMKK2 707/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAPK8 849/4885MAPK10 974/4885CAMKK2 707/4885

“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.