SCHEMBL5089371

SCHEMBL5089371

NC(=O)c1ccc(-c2ccnc(NCCCOc3ccc4ncccc4c3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.46
CAMKK2 Q96RR4 5/20 0.46
MAPK8 P45983 3/20 0.46
PIK3CG P48736 2/20 0.46
GSK3B P49841 2/20 0.46
MAPK10 P53779 1/20 0.45
AR P10275 1/20 0.44
HDAC1 Q13547 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
HDAC3 O15379 2/20 0.40
NCOR1 O75376 2/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
HDAC2 Q92769 1/20 0.40
MCL1 Q07820 1/20 0.40
RIPK1 Q13546 1/20 0.40
MAP4K4 O95819 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL5089132 0.90 MAPK8 (0.51) IKBKBCAMKK2MAPK8PIK3CGGSK3B
SCHEMBL5089550 0.84 MAPK8 (0.58) IKBKBCAMKK2MAPK8PIK3CGGSK3B
SCHEMBL5092293 0.83 DYRK1A (0.51) IKBKBCAMKK2MAPK8PIK3CGGSK3B
SCHEMBL5092372 0.83 CAMKK2 (0.54) IKBKBCAMKK2MAPK8PIK3CGGSK3B
SCHEMBL5093665 0.83 CAMKK2 (0.62) IKBKBCAMKK2MAPK8PIK3CGGSK3B
SCHEMBL5095140 0.83 CAMKK2 (0.49) IKBKBCAMKK2MAPK8PIK3CGGSK3B
SCHEMBL5093661 0.83 CAMKK2 (0.49) IKBKBCAMKK2MAPK8PIK3CGGSK3B
SCHEMBL5099766 0.82 MAP4K4 (0.58) IKBKBCAMKK2MAPK8PIK3CGGSK3B
SCHEMBL5094049 0.82 CAMKK2 (0.54) IKBKBCAMKK2MAPK8PIK3CGGSK3B
SCHEMBL5091989 0.81 MAPK8 (0.59) IKBKBCAMKK2MAPK8PIK3CGGSK3B

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 IKBKB 153/4885CAMKK2 692/4885MAPK8 878/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB IKBKB 161/4885CAMKK2 707/4885MAPK8 849/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB IKBKB 161/4885CAMKK2 707/4885MAPK8 849/4885

“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.