SCHEMBL1226239

SCHEMBL1226239

Cc1ccc(-c2nnc3[nH]nc(N)c3c2-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.51
GSK3A P49840 2/20 0.51
KDR P35968 2/20 0.51
CDK5 Q00535 2/20 0.51
DYRK1A Q13627 2/20 0.51
RPS6KA5 O75582 1/20 0.51
CDK1 P06493 1/20 0.51
CSF1R P07333 1/20 0.51
PRKACA P17612 1/20 0.51
CDK2 P24941 1/20 0.51
FLT4 P35916 1/20 0.51
CLK2 P49760 1/20 0.51
PKN2 Q16513 1/20 0.51
BRSK1 Q8TDC3 1/20 0.51
SLK Q9H2G2 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
SGK2 Q9HBY8 1/20 0.51
KMT2A Q03164 2/20 0.48
AKT2 P31751 1/20 0.48
DPP4 P27487 1/20 0.43

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
SCHEMBL1460288 1.00 GSK3B (0.51) GSK3BGSK3AKDRCDK5DYRK1A
SCHEMBL1226044 0.92 CDK5 (0.59) GSK3BGSK3AKDRCDK5DYRK1A
SCHEMBL1460365 0.88 MAPK14 (0.41) GSK3BGSK3AKDRCDK5DYRK1A
SCHEMBL1226655 0.87 GSK3B (0.46) GSK3BGSK3AKDRCDK5DYRK1A
SCHEMBL1458522 0.87 GSK3B (0.46) GSK3BGSK3AKDRCDK5DYRK1A
SCHEMBL1227181 0.86 GSK3B (0.51) GSK3BGSK3AKDRCDK5DYRK1A
SCHEMBL1226707 0.86 GSK3B (0.51) GSK3BGSK3AKDRCDK5DYRK1A
SCHEMBL1226653 0.86 GSK3B (0.51) GSK3BGSK3AKDRCDK5DYRK1A
SCHEMBL1227564 0.86 GSK3B (0.51) GSK3BGSK3AKDRCDK5DYRK1A
SCHEMBL1459139 0.86 MAP2K4 (0.42) GSK3BGSK3AKDRCDK5DYRK1A

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1435957-B1 INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3BETA PROTEIN AND PROTEIN COMPLEXES VERTEX PHARMA (US) 2009-06-17 EP claimed
US-7390808-B2 Inhibitors of GSK-3 and crystal structures of GSK-3β protein and protein complexes VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-24 US claimed
US-20030125332-A1 Inhibitors of GSK-3 and crystal structures of GSK-3 protein and protein complexes VERTEX PHARMACEUTICALS INCORPORATED 2003-07-03 US claimed
US-8318467-B2 Inhibitors of GSK-3 and crystal structures of GSK-3β protein and protein complexes VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-27 US disclosed
US-8318467-B2 Inhibitors of GSK-3 and crystal structures of GSK-3β protein and protein complexes VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-27 US disclosed
US-20110129896-A1 INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3Beta PROTEIN AND PROTEIN COMPLEXES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-02 US disclosed
US-20110129896-A1 INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3Beta PROTEIN AND PROTEIN COMPLEXES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-02 US disclosed
EP-2295550-A2 Crystal structures of GSK-3beta protein and protein complexes and their use. VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-16 EP disclosed
US-7883881-B2 Unphosphorylated glycogen synthase kinase-3-g-beta (GSK) from baculovirus overexpression system; competitive binding; diabetes, Alzheimer's disease VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-08 US disclosed
US-7883881-B2 Unphosphorylated glycogen synthase kinase-3-g-beta (GSK) from baculovirus overexpression system; competitive binding; diabetes, Alzheimer's disease VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-08 US disclosed
US-7883881-B2 Unphosphorylated glycogen synthase kinase-3-g-beta (GSK) from baculovirus overexpression system; competitive binding; diabetes, Alzheimer's disease VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-08 US disclosed
EP-1435957-B1 INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3BETA PROTEIN AND PROTEIN COMPLEXES VERTEX PHARMA (US) 2009-06-17 EP disclosed
EP-1435957-B1 INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3BETA PROTEIN AND PROTEIN COMPLEXES VERTEX PHARMA (US) 2009-06-17 EP disclosed
US-20080262205-A1 Inhibitors of GSK-3 and crystal structures of GSK-3beta protein and protein complexes VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-10-23 US disclosed
US-20080262205-A1 Inhibitors of GSK-3 and crystal structures of GSK-3beta protein and protein complexes VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-10-23 US disclosed
US-20080262205-A1 Inhibitors of GSK-3 and crystal structures of GSK-3beta protein and protein complexes VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-10-23 US disclosed
US-7390808-B2 Inhibitors of GSK-3 and crystal structures of GSK-3β protein and protein complexes VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-24 US disclosed
US-7390808-B2 Inhibitors of GSK-3 and crystal structures of GSK-3β protein and protein complexes VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-24 US disclosed
US-7390808-B2 Inhibitors of GSK-3 and crystal structures of GSK-3β protein and protein complexes VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-24 US disclosed
US-20030125332-A1 Inhibitors of GSK-3 and crystal structures of GSK-3 protein and protein complexes VERTEX PHARMACEUTICALS INCORPORATED 2003-07-03 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-20030125332-A1 Inhibitors of GSK-3 and crystal structures of GSK-3 protein and protein complexes GSK3B, GSK3A, GSKIP GSK3B 1/4885GSK3A 2/4885KDR 4612/4885
US-20080262205-A1 Inhibitors of GSK-3 and crystal structures of GSK-3beta protein and protein complexes GSK3B, GSK3A, GSKIP GSK3B 1/4885GSK3A 2/4885KDR 4689/4885

“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.