SCHEMBL2909660

SCHEMBL2909660

CCc1ccc(-c2cn(CCCNc3ccc([N+](=O)[O-])c(N)n3)cc2NC(=O)C(COC(C)(C)C)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 6/20 0.33
ITGA4 P13612 2/20 0.31
ITGB7 P26010 2/20 0.31
GSTP1 P09211 1/20 0.31
GSTM2 P28161 1/20 0.31
MCL1 Q07820 1/20 0.31
SCN9A Q15858 2/20 0.31
AAK1 Q2M2I8 1/20 0.31
IDO1 P14902 2/20 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
SCHEMBL2907603 0.91 CA2 (0.35) BCL2IDO1
SCHEMBL2912738 0.91 BCL2 (0.32) BCL2GSTP1GSTM2MCL1SCN9A
SCHEMBL2907410 0.89 GSK3B (0.34)
SCHEMBL2907714 0.86 GSK3B (0.42) BCL2GSTP1GSTM2MCL1AAK1
SCHEMBL6270770 0.84 BCL2 (0.34) BCL2GSTP1GSTM2MCL1SCN9A
SCHEMBL2904688 0.83 GSK3B (0.34)
SCHEMBL2912527 0.82 GSK3B (0.36)
SCHEMBL2905411 0.81 GSK3B (0.35)
SCHEMBL2912926 0.81 BDKRB1 (0.34)
SCHEMBL2908407 0.80 GSK3B (0.34)

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 7 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-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
EP-1537099-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2005-06-08 EP disclosed
US-20040077707-A1 Pyrrole based inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2004-04-22 US disclosed
WO-2004018455-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2004-03-04 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 (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 BCL2 969/4885ITGA4 4817/4885ITGB7 4620/4885
US-20070244109-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 GSK3B, GSK3A, PYGB BCL2 969/4885ITGA4 4817/4885ITGB7 4620/4885

“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.