SCHEMBL1228795

SCHEMBL1228795

Nc1n[nH]c2ccc(Nc3c(NCc4ccnc(O)c4)c(=O)c3=O)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 9/20 0.43
CLK4 Q9HAZ1 7/20 0.43
GSK3B P49841 7/20 0.43
PRKG1 Q13976 7/20 0.43
JAK2 O60674 7/20 0.43
CHEK2 O96017 7/20 0.43
PRKACA P17612 7/20 0.43
RPS6KA3 P51812 7/20 0.43
CDC42BPA Q5VT25 7/20 0.43
AURKB Q96GD4 7/20 0.43
ROCK2 O75116 6/20 0.43
CHEK1 O14757 6/20 0.43
RPS6KB1 P23443 6/20 0.43
PKN2 Q16513 6/20 0.43
HIPK4 Q8NE63 6/20 0.43
AKT1 P31749 5/20 0.43
PRKAA1 Q13131 5/20 0.43
PRKCD Q05655 5/20 0.43
MKNK2 Q9HBH9 5/20 0.43
SGK2 Q9HBY8 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
SCHEMBL4170615 0.85 JAK2 (0.51) ROCK1CLK4GSK3BPRKG1JAK2
SCHEMBL1229617 0.84 GSK3B (0.45) ROCK1CLK4GSK3BPRKG1JAK2
SCHEMBL1228234 0.82 JAK2 (0.52) ROCK1CLK4GSK3BPRKG1JAK2
SCHEMBL1229259 0.78 ROCK1 (0.54) ROCK1CLK4GSK3BPRKG1JAK2
SCHEMBL1229917 0.78 TTK (0.46) ROCK1CLK4GSK3BPRKG1JAK2
SCHEMBL1229781 0.78 RPS6KB1 (0.62) ROCK1CLK4GSK3BPRKG1JAK2
SCHEMBL1228419 0.75 ROCK1 (0.45) ROCK1CLK4GSK3BPRKG1JAK2
SCHEMBL1228816 0.71 ROCK2 (0.46) ROCK1CLK4GSK3BPRKG1JAK2
SCHEMBL1228940 0.69 RPS6KB1 (0.44) ROCK1CLK4GSK3BPRKG1JAK2
SCHEMBL1228428 0.68 CDK7 (0.52) ROCK1CLK4GSK3BPRKG1JAK2

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 12 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
EP-1866288-A1 INDAZOLE SQUARIC ACID DERIVATIVES AS CHK1-, CHK2- AND SGK- INHIBITORS Merck Patent GmbH (DE) 2007-12-19 EP claimed
WO-2006105865-A1 INDAZOLE SQUARIC ACID DERIVATIVES AS CHK1-, CHK2- AND SGK- INHIBITORS MERCK PATENT GMBH (DE) 2006-10-12 WO 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
EP-1866288-A1 INDAZOLE SQUARIC ACID DERIVATIVES AS CHK1-, CHK2- AND SGK- INHIBITORS Merck Patent GmbH (DE) 2007-12-19 EP disclosed
WO-2006105865-A1 INDAZOLE SQUARIC ACID DERIVATIVES AS CHK1-, CHK2- AND SGK- INHIBITORS MERCK PATENT GMBH (DE) 2006-10-12 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-20130017188-A1 MODULATION OF SGK1 EXPRESSION IN TH17 CELLS TO MODULATE TH17-MEDIATED IMMUNE RESPONSES SGK1, SGK3, SGK2 ROCK1 523/4885CLK4 156/4885GSK3B 108/4885
US-20090036449-A1 Indazolesquaric Acid Derivatives as Chk1, Chk2 and Sgk Inhibitors CHEK2, CHEK1, SIK2 ROCK1 979/4885CLK4 66/4885GSK3B 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.