SCHEMBL2909656

SCHEMBL2909656

CN1CCN(c2cn(CCCNc3ccc([N+](=O)[O-])c(N)n3)cc2-c2ccc(Cl)cc2Cl)C(=O)C1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.74
GSK3A P49840 4/20 0.74
CDK1 P06493 2/20 0.46
CCNB2 O95067 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
FGFR1 P11362 4/20 0.33
KDR P35968 2/20 0.33
HSD11B1 P28845 1/20 0.33
HTR6 P50406 1/20 0.32
MAPT P10636 2/20 0.32
SRC P12931 2/20 0.32
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.31
WDR5 P61964 1/20 0.30
KMT2A Q03164 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL14554238 0.85 GSK3B (1.00) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL6069014 0.85 GSK3B (0.81) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL6069385 0.82 GSK3B (0.74) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL6212610 0.82 GSK3B (0.67) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL24393904 0.81 GSK3B (1.00) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL29365958 0.81 GSK3B (1.00) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2909872 0.81 GSK3B (0.54) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2910325 0.80 GSK3B (0.53) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL1219415 0.80 GSK3B (0.51) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2910561 0.79 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (2 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-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.