SCHEMBL1219461

SCHEMBL1219461

CC(C)(C)OC(=O)c1cn(CCCNc2ccc([N+](=O)[O-])c(N)n2)cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.49
GSK3A P49840 3/20 0.49
CDK1 P06493 2/20 0.46
CCNB2 O95067 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNB3 Q8WWL7 1/20 0.45
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
MAPT P10636 4/20 0.34
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HSD11B1 P28845 1/20 0.33
LMNA P02545 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL2909927 0.98 GSK3B (0.49) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2910224 0.92 GSK3B (0.42) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2904015 0.92 GSK3B (0.43) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2909914 0.92 GSK3B (0.43) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2906789 0.91 GSK3B (0.47) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2910220 0.91 GSK3B (0.39) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL14400842 0.90 GSK3B (0.51) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2912808 0.90 GSK3B (0.46) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2910908 0.90 GSK3B (0.41) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL1219415 0.89 GSK3B (0.51) GSK3BGSK3ACDK1CCNB2CCNB1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608369-B1 USE OF ORGANIC COMPOUNDS FOR IMMUNOPOTENTIATION NOVARTIS VACCINES & DIAGNOSTIC (US) 2013-06-26 EP disclosed
US-7893096-B2 For example, N-methyl-4-[(2-{[2-(1-methylethyl)phenyl]amino}-1 H-benzimidazol-5-yl)oxy]pyridine-2-carboxamide; administering the compounds alone or in combination with another agent for the treatment of cancer, infectious diseases and/or allergies/asthma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-02-22 US disclosed
US-7893096-B2 For example, N-methyl-4-[(2-{[2-(1-methylethyl)phenyl]amino}-1 H-benzimidazol-5-yl)oxy]pyridine-2-carboxamide; administering the compounds alone or in combination with another agent for the treatment of cancer, infectious diseases and/or allergies/asthma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-02-22 US disclosed
EP-1537099-B1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 NOVARTIS VACCINES & DIAGNOSTIC (US) 2010-08-11 EP disclosed
EP-1537099-B1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 NOVARTIS VACCINES & DIAGNOSTIC (US) 2010-08-11 EP disclosed
US-7671049-B2 Pyrrole based inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-03-02 US disclosed
US-7671049-B2 Pyrrole based inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-03-02 US disclosed
US-7671049-B2 Pyrrole based inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-03-02 US disclosed
US-20070244109-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2007-10-18 US disclosed
US-20070244109-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2007-10-18 US disclosed
US-20070244109-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2007-10-18 US disclosed
US-7250443-B2 Pyrrole based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2007-07-31 US disclosed
US-7250443-B2 Pyrrole based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2007-07-31 US disclosed
US-7250443-B2 Pyrrole based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2007-07-31 US disclosed
US-20060257852-A1 Severe acute respiratory syndrome coronavirus CHIRON CORPORATION (US) 2006-11-16 US disclosed
US-20050136065-A1 Use of small molecule compounds for immunopotentiation CHIRON CORPORATION (US) 2005-06-23 US disclosed
US-20040077707-A1 Pyrrole based inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2004-04-22 US 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 (4 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-20060257852-A1 Severe acute respiratory syndrome coronavirus SARS1, ACE2, ACE GSK3B 4439/4885GSK3A 4349/4885CDK1 2790/4885
US-20050136065-A1 Use of small molecule compounds for immunopotentiation ICOS, CD14, LCP2 GSK3B 2758/4885GSK3A 2787/4885CDK1 4500/4885
US-20040077707-A1 Pyrrole based inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB GSK3B 1/4885GSK3A 2/4885CDK1 34/4885
US-20070244109-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 GSK3B, GSK3A, PYGB GSK3B 1/4885GSK3A 2/4885CDK1 34/4885

“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.