SCHEMBL5089138

SCHEMBL5089138

NC(=O)c1ccc(-c2ccnc(NCCCOc3cccc4ccccc34)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 6/20 0.54
MAPK8 P45983 4/20 0.54
PIK3CG P48736 3/20 0.50
GSK3B P49841 2/20 0.50
MAPK10 P53779 1/20 0.50
IKBKB O14920 1/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
SLC6A4 P31645 1/20 0.44
HRH1 P35367 1/20 0.44
PIN1 Q13526 1/20 0.43
HTR1B P28222 3/20 0.42
HTR1D P28221 2/20 0.42
CAMK2D Q13557 1/20 0.42
JAK2 O60674 1/20 0.42
NR2E1 Q9Y466 1/20 0.41
MAP4K4 O95819 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
SCHEMBL5089550 0.84 MAPK8 (0.58) CAMKK2MAPK8PIK3CGGSK3BMAPK10
SCHEMBL5089132 0.83 MAPK8 (0.51) CAMKK2MAPK8PIK3CGGSK3BMAPK10
SCHEMBL5093665 0.81 CAMKK2 (0.62) CAMKK2MAPK8PIK3CGGSK3BMAPK10
SCHEMBL5100847 0.81 MAPK8 (0.56) CAMKK2MAPK8PIK3CGGSK3BMAPK10
SCHEMBL5091989 0.81 MAPK8 (0.59) CAMKK2MAPK8PIK3CGGSK3BMAPK10
SCHEMBL5092372 0.80 CAMKK2 (0.54) CAMKK2MAPK8PIK3CGGSK3BMAPK10
SCHEMBL5100784 0.79 MAP4K4 (0.51) CAMKK2MAPK8PIK3CGGSK3BMAPK10
SCHEMBL5095140 0.79 CAMKK2 (0.49) CAMKK2MAPK8PIK3CGGSK3BMAPK10
SCHEMBL5093661 0.79 CAMKK2 (0.49) CAMKK2MAPK8PIK3CGGSK3BMAPK10
SCHEMBL5091983 0.79 MAPK8 (0.61) CAMKK2MAPK8PIK3CGGSK3BMAPK10

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 10 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

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 878/4885PIK3CG 157/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB CAMKK2 707/4885MAPK8 849/4885PIK3CG 143/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB CAMKK2 707/4885MAPK8 849/4885PIK3CG 143/4885

“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.