SCHEMBL5100716

SCHEMBL5100716

NC(=O)c1ccc(-c2ccnc(NCCc3ccc(F)cc3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 5/20 0.50
MAPK8 P45983 3/20 0.50
GSK3B P49841 2/20 0.50
MAPK10 P53779 1/20 0.50
PIK3CG P48736 2/20 0.47
MAPK14 Q16539 2/20 0.47
MAP4K4 O95819 1/20 0.46
PTGDR Q13258 1/20 0.46
AKT3 Q9Y243 1/20 0.46
IKBKB O14920 1/20 0.45
HDAC1 Q13547 1/20 0.45
MKNK1 Q9BUB5 2/20 0.45
MKNK2 Q9HBH9 1/20 0.45
JAK2 O60674 1/20 0.44
HTR7 P34969 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CNR2 P34972 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
SCHEMBL5100599 0.88 CAMKK2 (0.54) CAMKK2MAPK8GSK3BMAPK10PIK3CG
SCHEMBL5094295 0.85 PIK3CG (0.47) CAMKK2MAPK8GSK3BMAPK10PIK3CG
SCHEMBL7677535 0.84 HDAC1 (0.50) CAMKK2MAPK8GSK3BMAPK10PIK3CG
SCHEMBL5091983 0.82 MAPK8 (0.61) CAMKK2MAPK8GSK3BMAPK10PIK3CG
SCHEMBL27543365 0.81 PIM1 (0.48) CAMKK2MAPK8GSK3BMAPK10PIK3CG
SCHEMBL5095220 0.81 MAPK8 (0.58) CAMKK2MAPK8GSK3BMAPK10PIK3CG
SCHEMBL5089350 0.81 CAMK2D (0.53) CAMKK2MAPK8GSK3BMAPK10PIK3CG
SCHEMBL5094010 0.80 DYRK1A (0.54) CAMKK2MAPK8GSK3BMAPK10PIK3CG
SCHEMBL5089243 0.80 MAPK8 (0.56) CAMKK2MAPK8GSK3BMAPK10PIK3CG
SCHEMBL5094681 0.79 MAPK8 (0.54) CAMKK2MAPK8GSK3BMAPK10PIK3CG

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 CAMKK2 692/4885MAPK8 878/4885GSK3B 1/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB CAMKK2 707/4885MAPK8 849/4885GSK3B 1/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB CAMKK2 707/4885MAPK8 849/4885GSK3B 1/4885

“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.