SCHEMBL5099766

SCHEMBL5099766

NC(=O)c1ccc(-c2ccnc(NCCCOc3ccc(Cl)cc3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.58
MAPT P10636 2/20 0.51
DYRK1A Q13627 2/20 0.51
CLK4 Q9HAZ1 2/20 0.51
DYRK1B Q9Y463 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CLK1 P49759 1/20 0.51
CLK2 P49760 1/20 0.51
IKBKB O14920 1/20 0.48
MAPK8 P45983 3/20 0.47
MAPK10 P53779 1/20 0.47
SCN9A Q15858 2/20 0.47
CAMKK2 Q96RR4 5/20 0.47
GSK3B P49841 2/20 0.45
PIK3CG P48736 3/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
HDAC1 Q13547 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL5094049 0.89 CAMKK2 (0.54) MAPTDYRK1ACLK4DYRK1BCLK1
SCHEMBL5089550 0.89 MAPK8 (0.58) MAP4K4MAPTIKBKBMAPK8MAPK10
SCHEMBL5092293 0.89 DYRK1A (0.51) MAP4K4DYRK1ACLK4DYRK1BCLK1
SCHEMBL5100784 0.86 MAP4K4 (0.51) MAP4K4MAPTDYRK1ACLK4IKBKB
SCHEMBL5091989 0.86 MAPK8 (0.59) MAP4K4MAPTIKBKBMAPK8MAPK10
SCHEMBL5091556 0.85 DYRK1A (0.56) MAPTDYRK1ACLK4DYRK1BSMN1; SMN2
SCHEMBL5089132 0.85 MAPK8 (0.51) MAP4K4IKBKBMAPK8MAPK10CAMKK2
SCHEMBL5092372 0.82 CAMKK2 (0.54) DYRK1ACLK4DYRK1BCLK1IKBKB
SCHEMBL5089371 0.82 IKBKB (0.46) MAP4K4IKBKBMAPK8MAPK10CAMKK2
SCHEMBL5093661 0.82 CAMKK2 (0.49) MAP4K4IKBKBMAPK8MAPK10CAMKK2

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
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
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 250/4885MAPT 134/4885DYRK1A 325/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAP4K4 260/4885MAPT 146/4885DYRK1A 319/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAP4K4 260/4885MAPT 146/4885DYRK1A 319/4885

“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.