SCHEMBL5089391

SCHEMBL5089391

NC(=O)c1ccc(-c2ccnc(NCCNc3ccc(C(F)(F)F)cn3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.46
MAPK10 P53779 1/20 0.46
CCR6 P51684 1/20 0.46
PRKAB2 O43741 1/20 0.45
PRKAG1 P54619 1/20 0.45
PRKAA2 P54646 1/20 0.45
PRKAA1 Q13131 1/20 0.45
PRKAG3 Q9UGI9 1/20 0.45
PRKAG2 Q9UGJ0 1/20 0.45
PRKAB1 Q9Y478 1/20 0.45
CAMKK2 Q96RR4 4/20 0.44
GSK3B P49841 2/20 0.44
PIK3CG P48736 1/20 0.44
PTGS1 P23219 1/20 0.43
SCN9A Q15858 1/20 0.43
MAP4K4 O95819 1/20 0.42
TRPV1 Q8NER1 2/20 0.42
MAOA P21397 1/20 0.42
KCNH2 Q12809 1/20 0.42
AURKA O14965 1/20 0.42

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
SCHEMBL7106099 0.84 IKBKB (0.44) MAPK8MAPK10CCR6CAMKK2GSK3B
SCHEMBL5094140 0.84 MAPK8 (0.48) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL5100280 0.82 HDAC1 (0.53) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL5092137 0.82 MAPK8 (0.46) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL6637382 0.81 PRKAB2 (0.56) CCR6PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5089535 0.81 MKNK1 (0.50) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL5093422 0.81 MAPK8 (0.57) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL5091983 0.80 MAPK8 (0.61) MAPK8MAPK10CAMKK2GSK3BPIK3CG
SCHEMBL5093322 0.80 PRKAB2 (0.51) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL5100707 0.79 CAMKK2 (0.49) MAPK8MAPK10CAMKK2GSK3BPIK3CG

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 12 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
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
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 MAPK8 878/4885MAPK10 1004/4885CCR6 4051/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAPK8 849/4885MAPK10 974/4885CCR6 3903/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAPK8 849/4885MAPK10 974/4885CCR6 3903/4885

“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.