SCHEMBL1228940

SCHEMBL1228940

Cc1cc(Nc2c(NCc3cccc(O)c3)c(=O)c2=O)cc2c(N)n[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 7/20 0.44
AURKB Q96GD4 7/20 0.44
GSK3B P49841 7/20 0.44
ROCK1 Q13464 7/20 0.44
PRKG1 Q13976 7/20 0.44
CHEK2 O96017 6/20 0.44
PRKACA P17612 6/20 0.44
RPS6KA3 P51812 6/20 0.44
PKN2 Q16513 6/20 0.44
CDC42BPA Q5VT25 6/20 0.44
HIPK4 Q8NE63 6/20 0.44
GSK3A P49840 6/20 0.44
ROCK2 O75116 5/20 0.44
AKT1 P31749 5/20 0.44
CSNK1G3 Q9Y6M4 5/20 0.44
NEK4 P51957 4/20 0.44
MATK P42679 1/20 0.44
CLK4 Q9HAZ1 6/20 0.43
CHEK1 O14757 5/20 0.43
MKNK2 Q9HBH9 5/20 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
SCHEMBL1229231 0.87 POLB (0.44) RPS6KB1AURKBGSK3BROCK1PRKG1
SCHEMBL1228530 0.86 ILK (0.42) RPS6KB1AURKBGSK3BROCK1PRKG1
SCHEMBL1229617 0.86 GSK3B (0.45) RPS6KB1AURKBGSK3BROCK1PRKG1
SCHEMBL4170615 0.83 JAK2 (0.51) RPS6KB1AURKBGSK3BROCK1PRKG1
SCHEMBL1229918 0.82 ROCK1 (0.55) RPS6KB1AURKBGSK3BROCK1PRKG1
SCHEMBL4911057 0.82 CHEK2 (0.50) RPS6KB1AURKBGSK3BROCK1PRKG1
SCHEMBL1229214 0.82 MAPKAPK2 (0.59) AURKBGSK3BROCK1CHEK2CDC42BPA
SCHEMBL4906437 0.80 RPS6KB1 (0.43) RPS6KB1AURKBGSK3BROCK1PRKG1
SCHEMBL4917069 0.78 EGFR (0.50) RPS6KB1AURKBGSK3BROCK1PRKG1
SCHEMBL4598328 0.76 GSK3B (0.43) RPS6KB1AURKBGSK3BROCK1PRKG1

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 RPS6KB1 355/4885AURKB 538/4885GSK3B 108/4885
US-20090036449-A1 Indazolesquaric Acid Derivatives as Chk1, Chk2 and Sgk Inhibitors CHEK2, CHEK1, SIK2 RPS6KB1 475/4885AURKB 37/4885GSK3B 311/4885

“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.