SCHEMBL5100290

SCHEMBL5100290

NC(=O)c1ccc(-c2ccnc(NCc3cc(Cl)cc(Cl)c3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.57
CLK4 Q9HAZ1 6/20 0.57
CLK1 P49759 4/20 0.57
CLK2 P49760 4/20 0.57
DYRK1B Q9Y463 4/20 0.57
MAP4K4 O95819 2/20 0.57
MAPK8 P45983 3/20 0.52
MAPK10 P53779 1/20 0.52
CAMKK2 Q96RR4 5/20 0.52
GSK3B P49841 2/20 0.52
PIK3CG P48736 2/20 0.52
CAMK2D Q13557 1/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC3 O15379 1/20 0.47
NCOR1 O75376 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
JAK2 O60674 1/20 0.46
IKBKB O14920 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
SCHEMBL5100273 0.90 CAMK2D (0.55) DYRK1ACLK4CLK1CLK2DYRK1B
SCHEMBL5091711 0.84 MAPK8 (0.55) DYRK1ACLK4CLK1CLK2DYRK1B
SCHEMBL5094681 0.83 MAPK8 (0.54) DYRK1ACLK4CLK1CLK2DYRK1B
SCHEMBL5091408 0.83 CAMKK2 (0.54) DYRK1ACLK4CLK1CLK2DYRK1B
SCHEMBL5100707 0.83 CAMKK2 (0.49) MAP4K4MAPK8MAPK10CAMKK2GSK3B
SCHEMBL5100691 0.83 MAP4K4 (0.57) DYRK1ACLK4CLK1CLK2DYRK1B
SCHEMBL5089350 0.82 CAMK2D (0.53) MAP4K4MAPK8MAPK10CAMKK2GSK3B
SCHEMBL5099819 0.82 HDAC1 (0.56) DYRK1ACLK4CLK1CLK2DYRK1B
SCHEMBL27576350 0.81 CAMKK2 (0.55) MAP4K4MAPK8MAPK10CAMKK2GSK3B
SCHEMBL5092238 0.81 CAMKK2 (0.60) DYRK1ACLK4CLK1CLK2DYRK1B

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
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
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 DYRK1A 325/4885CLK4 1080/4885CLK1 787/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB DYRK1A 319/4885CLK4 1015/4885CLK1 731/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB DYRK1A 319/4885CLK4 1015/4885CLK1 731/4885

“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.