SCHEMBL2908407

SCHEMBL2908407

CCc1ccc(-c2cn(CCCNc3ccc([N+](=O)[O-])c(N)n3)cc2NC(=O)CBr)cc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.34
GSK3A P49840 2/20 0.34
KAT2B Q92831 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CDK1 P06493 1/20 0.31
MAPT P10636 1/20 0.31
CYP2D6 P10635 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
SCHEMBL2912527 0.91 GSK3B (0.36) GSK3BGSK3AKAT2BCDK1CYP2D6
SCHEMBL2912926 0.91 BDKRB1 (0.34) GSK3BGSK3AKAT2BNPSR1MAPT
SCHEMBL2907498 0.89 RAB9A (0.38) GSK3BGSK3AMAPT
SCHEMBL2904881 0.88 RAB9A (0.39) GSK3BGSK3AMAPT
SCHEMBL2910651 0.88 MAPT (0.36) MAPT
SCHEMBL2907410 0.88 GSK3B (0.34) GSK3BGSK3AKAT2BCDK1MAPT
SCHEMBL2904688 0.88 GSK3B (0.34) GSK3BGSK3AKAT2BCDK1
SCHEMBL2912544 0.87 CYP19A1 (0.37) GSK3BGSK3ANPSR1CDK1MAPT
SCHEMBL2911941 0.87 HDAC1 (0.34) GSK3BGSK3AKAT2BMAPT
SCHEMBL13455481 0.87 GSK3B (0.37) GSK3BGSK3AKAT2BCDK1CYP2D6

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 GSK3B 1/4885GSK3A 2/4885KAT2B 3689/4885
US-20070244109-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 GSK3B, GSK3A, PYGB GSK3B 1/4885GSK3A 2/4885KAT2B 3689/4885

“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.