SCHEMBL5089145

SCHEMBL5089145

COc1cccc(NCCNc2nccc(-c3ccc(C(N)=O)cc3)n2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 6/20 0.55
MAPK8 P45983 4/20 0.55
PIK3CG P48736 3/20 0.51
GSK3B P49841 2/20 0.48
MAPK10 P53779 1/20 0.48
HDAC1 Q13547 3/20 0.46
IKBKB O14920 1/20 0.44
PTGDR Q13258 1/20 0.43
MAP4K4 O95819 1/20 0.42
JAK2 O60674 2/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
CAMK2D Q13557 1/20 0.40
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40

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
SCHEMBL5093422 0.83 MAPK8 (0.57) CAMKK2MAPK8PIK3CGGSK3BMAPK10
SCHEMBL5091983 0.82 MAPK8 (0.61) CAMKK2MAPK8PIK3CGGSK3BMAPK10
SCHEMBL5089577 0.81 HDAC1 (0.44) GSK3BHDAC1CLK1CLK2DYRK1A
SCHEMBL7844380 0.79 MAPK8 (0.53) CAMKK2MAPK8PIK3CGGSK3BMAPK10
SCHEMBL5089454 0.79 MAPK8 (0.53) CAMKK2MAPK8PIK3CGGSK3BMAPK10
SCHEMBL5089258 0.79 CAMKK2 (0.68) CAMKK2MAPK8PIK3CGGSK3BMAPK10
SCHEMBL5092372 0.79 CAMKK2 (0.54) CAMKK2MAPK8PIK3CGGSK3BMAPK10
SCHEMBL5091547 0.78 CAMKK2 (0.53) CAMKK2MAPK8PIK3CGGSK3BMAPK10
SCHEMBL5092014 0.78 CAMKK2 (0.66) CAMKK2MAPK8PIK3CGGSK3BMAPK10
SCHEMBL5100369 0.77 CAMKK2 (0.60) 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 13 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
EP-1087963-B1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORP (US) 2004-08-25 EP 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 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.