SCHEMBL5089243

SCHEMBL5089243

NC(=O)c1ccc(-c2ccnc(NCCc3ccccn3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.56
MAPK10 P53779 1/20 0.56
CAMKK2 Q96RR4 6/20 0.53
GSK3B P49841 3/20 0.53
PIK3CG P48736 3/20 0.53
IKBKB O14920 1/20 0.48
CAMK2D Q13557 2/20 0.46
PARP10 Q53GL7 1/20 0.46
MAP4K4 O95819 1/20 0.46
OGA O60502 1/20 0.45
JAK2 O60674 1/20 0.44
RET P07949 1/20 0.44
CYP1A2 P05177 1/20 0.43
KCNH2 Q12809 1/20 0.42
HIF1A Q16665 1/20 0.42
VCP P55072 1/20 0.42
NAMPT P43490 1/20 0.41

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
SCHEMBL5091983 0.87 MAPK8 (0.61) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL5093422 0.85 MAPK8 (0.57) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL5089075 0.84 OGA (0.53) PIK3CGOGACYP1A2HIF1AVCP
SCHEMBL5094288 0.83 RAB9A (0.54) GSK3BCAMK2DMAP4K4
SCHEMBL5095318 0.82 KMT2A (0.56) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL7844380 0.81 MAPK8 (0.53) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL5095220 0.81 MAPK8 (0.58) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL5092014 0.80 CAMKK2 (0.66) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL5100716 0.80 CAMKK2 (0.50) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL5091989 0.80 MAPK8 (0.59) 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.