SCHEMBL1229617

SCHEMBL1229617

Cc1cc(Nc2c(NCc3ccnc(O)c3)c(=O)c2=O)cc2c(N)n[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.45
ROCK1 Q13464 9/20 0.45
PRKG1 Q13976 8/20 0.45
PRKACA P17612 8/20 0.45
RPS6KB1 P23443 8/20 0.45
RPS6KA3 P51812 8/20 0.45
CDC42BPA Q5VT25 8/20 0.45
AURKB Q96GD4 8/20 0.45
GSK3A P49840 8/20 0.45
CHEK2 O96017 7/20 0.45
PKN2 Q16513 7/20 0.45
HIPK4 Q8NE63 7/20 0.45
CSNK1G3 Q9Y6M4 7/20 0.45
AKT1 P31749 6/20 0.45
ROCK2 O75116 5/20 0.45
NEK4 P51957 4/20 0.45
MATK P42679 1/20 0.45
CLK4 Q9HAZ1 6/20 0.40
CHEK1 O14757 6/20 0.40
MKNK2 Q9HBH9 6/20 0.40

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
SCHEMBL1228940 0.86 RPS6KB1 (0.44) GSK3BROCK1PRKG1PRKACARPS6KB1
SCHEMBL1228795 0.84 ROCK1 (0.43) GSK3BROCK1PRKG1PRKACARPS6KB1
SCHEMBL1229231 0.79 POLB (0.44) GSK3BROCK1PRKG1PRKACARPS6KB1
SCHEMBL1228530 0.78 ILK (0.42) GSK3BROCK1PRKG1PRKACARPS6KB1
SCHEMBL1229214 0.70 MAPKAPK2 (0.59) GSK3BROCK1CDC42BPAAURKBGSK3A
SCHEMBL4170615 0.69 JAK2 (0.51) GSK3BROCK1PRKG1PRKACARPS6KB1
SCHEMBL4906437 0.69 RPS6KB1 (0.43) GSK3BROCK1PRKG1PRKACARPS6KB1
SCHEMBL1229918 0.69 ROCK1 (0.55) GSK3BROCK1PRKG1PRKACARPS6KB1
SCHEMBL4911057 0.67 CHEK2 (0.50) GSK3BROCK1PRKG1PRKACARPS6KB1
SCHEMBL1228234 0.66 JAK2 (0.52) GSK3BROCK1PRKG1PRKACARPS6KB1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130017188-A1 MODULATION OF SGK1 EXPRESSION IN TH17 CELLS TO MODULATE TH17-MEDIATED IMMUNE RESPONSES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2013-01-17 US claimed
EP-2459184-A1 MODULATION OF SGK1 EXPRESSION IN TH17 CELLS TO MODULATE TH17-MEDIATED IMMUNE RESPONSES The Brigham and Women's Hospital, Inc. (US) 2012-06-06 EP claimed
WO-2011014775-A1 MODULATION OF SGK1 EXPRESSION IN TH17 CELLS TO MODULATE TH17-MEDIATED IMMUNE RESPONSES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2011-02-03 WO claimed
US-20090036449-A1 Indazolesquaric Acid Derivatives as Chk1, Chk2 and Sgk Inhibitors MERCK PATENT GMBH (DE) 2009-02-05 US claimed
US-20130017188-A1 MODULATION OF SGK1 EXPRESSION IN TH17 CELLS TO MODULATE TH17-MEDIATED IMMUNE RESPONSES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2013-01-17 US disclosed
EP-2459184-A1 MODULATION OF SGK1 EXPRESSION IN TH17 CELLS TO MODULATE TH17-MEDIATED IMMUNE RESPONSES The Brigham and Women's Hospital, Inc. (US) 2012-06-06 EP disclosed
WO-2011014775-A1 MODULATION OF SGK1 EXPRESSION IN TH17 CELLS TO MODULATE TH17-MEDIATED IMMUNE RESPONSES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2011-02-03 WO disclosed
US-20090036449-A1 Indazolesquaric Acid Derivatives as Chk1, Chk2 and Sgk Inhibitors MERCK PATENT GMBH (DE) 2009-02-05 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-20130017188-A1 MODULATION OF SGK1 EXPRESSION IN TH17 CELLS TO MODULATE TH17-MEDIATED IMMUNE RESPONSES SGK1, SGK3, SGK2 GSK3B 108/4885ROCK1 523/4885PRKG1 1245/4885
US-20090036449-A1 Indazolesquaric Acid Derivatives as Chk1, Chk2 and Sgk Inhibitors CHEK2, CHEK1, SIK2 GSK3B 311/4885ROCK1 979/4885PRKG1 935/4885

“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.