SCHEMBL5100784

SCHEMBL5100784

NC(=O)c1ccc(-c2ccnc(NCCCOc3ccc(Cl)cc3Cl)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.51
GAA P10253 1/20 0.47
CAMKK2 Q96RR4 5/20 0.47
PIK3CG P48736 2/20 0.47
MAPK8 P45983 3/20 0.46
GSK3B P49841 2/20 0.45
WDR5 P61964 1/20 0.44
EIF2AK2 P19525 1/20 0.44
MAPK10 P53779 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
MAPT P10636 2/20 0.43
CAMK2D Q13557 1/20 0.43
JAK2 O60674 1/20 0.43
IKBKB O14920 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
S1PR4 O95977 1/20 0.42

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
SCHEMBL5099766 0.86 MAP4K4 (0.58) MAP4K4CAMKK2PIK3CGMAPK8GSK3B
SCHEMBL5092293 0.83 DYRK1A (0.51) MAP4K4CAMKK2PIK3CGMAPK8GSK3B
SCHEMBL5100691 0.81 MAP4K4 (0.57) MAP4K4CAMKK2PIK3CGMAPK8GSK3B
SCHEMBL5089550 0.79 MAPK8 (0.58) MAP4K4CAMKK2PIK3CGMAPK8GSK3B
SCHEMBL5089138 0.79 CAMKK2 (0.54) MAP4K4CAMKK2PIK3CGMAPK8GSK3B
SCHEMBL5094703 0.78 MAP4K4 (0.44) MAP4K4CAMKK2PIK3CGMAPK8GSK3B
SCHEMBL5089132 0.78 MAPK8 (0.51) MAP4K4CAMKK2PIK3CGMAPK8GSK3B
SCHEMBL5094049 0.78 CAMKK2 (0.54) CAMKK2PIK3CGMAPK8GSK3BMAPK10
SCHEMBL5092372 0.77 CAMKK2 (0.54) CAMKK2PIK3CGMAPK8GSK3BMAPK10
SCHEMBL5089350 0.77 CAMK2D (0.53) MAP4K4CAMKK2PIK3CGMAPK8GSK3B

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 MAP4K4 250/4885GAA 954/4885CAMKK2 692/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAP4K4 260/4885GAA 937/4885CAMKK2 707/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAP4K4 260/4885GAA 937/4885CAMKK2 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.