SCHEMBL2909547

SCHEMBL2909547

CCc1ccc(-c2c[nH]c(CCCNc3ccc([N+](=O)[O-])c(N)n3)c2N)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.37
GSK3A P49840 3/20 0.37
CDK1 P06493 2/20 0.37
CCNB2 O95067 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
KAT2B Q92831 1/20 0.36
CYP2D6 P10635 1/20 0.33
NPBWR1 P48145 1/20 0.33
DHFR P00374 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
SIRT5 Q9NXA8 1/20 0.32

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
Hydrochloric Acid SCHEMBL2911853 0.99 KAT2B (0.37) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL6211337 0.84 GSK3A (0.33) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL6209893 0.80 ALDH1A1 (0.32) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL6270770 0.78 BCL2 (0.34)
SCHEMBL5101039 0.77 GSK3B (0.44) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2909549 0.77 GSK3B (0.39) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL27559726 0.74 GSK3B (0.39) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL13455481 0.74 GSK3B (0.37) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2904612 0.73 GSK3B (0.36) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2910620 0.73 GSK3B (0.36) 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 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 2/4885CDK1 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.