SCHEMBL5092014

SCHEMBL5092014

COc1ccccc1CCNc1nccc(-c2ccc(C(N)=O)cc2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 7/20 0.66
MAPK8 P45983 5/20 0.66
PIK3CG P48736 4/20 0.58
MAPK10 P53779 1/20 0.51
IKBKB O14920 2/20 0.51
HDAC1 Q13547 2/20 0.49
GSK3B P49841 3/20 0.48
USP2 O75604 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
NR3C2 P08235 1/20 0.44
JAK3 P52333 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
CLK2 P49760 1/20 0.43
GSK3A P49840 1/20 0.43
CDK9 P50750 1/20 0.43

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
SCHEMBL5100369 0.91 CAMKK2 (0.60) CAMKK2MAPK8PIK3CGMAPK10IKBKB
SCHEMBL27576337 0.91 CAMKK2 (0.70) CAMKK2MAPK8PIK3CGMAPK10IKBKB
SCHEMBL5089555 0.87 CAMKK2 (0.55) CAMKK2MAPK8PIK3CGMAPK10IKBKB
SCHEMBL5089258 0.83 CAMKK2 (0.68) CAMKK2MAPK8PIK3CGMAPK10IKBKB
SCHEMBL5989559 0.82 CAMKK2 (0.46) CAMKK2MAPK8PIK3CGMAPK10IKBKB
SCHEMBL15343081 0.80 CYP1A2 (0.63) CAMKK2MAPK8GSK3BUSP2CYP1A2
SCHEMBL5091547 0.80 CAMKK2 (0.53) CAMKK2MAPK8PIK3CGMAPK10HDAC1
SCHEMBL5091983 0.80 MAPK8 (0.61) CAMKK2MAPK8PIK3CGMAPK10IKBKB
SCHEMBL5089243 0.80 MAPK8 (0.56) CAMKK2MAPK8PIK3CGMAPK10IKBKB
SCHEMBL5089234 0.78 DYRK1A (0.64) CAMKK2MAPK8PIK3CGMAPK10HDAC1

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 11 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
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
CN-1312807-A Inhibitors of glycogen synthase kinase 3 CHIRON CORP (US) 2001-09-12 CN 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.