SCHEMBL1230376

SCHEMBL1230376

O=c1c(NCc2cccc(O)c2)c(Nc2cc(Br)c3[nH]ncc3c2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 8/20 0.53
ROCK2 O75116 7/20 0.53
GSK3B P49841 7/20 0.53
PRKG1 Q13976 7/20 0.53
CHEK2 O96017 7/20 0.53
PRKACA P17612 7/20 0.53
RPS6KA3 P51812 7/20 0.53
CDC42BPA Q5VT25 7/20 0.53
AURKB Q96GD4 7/20 0.53
CLK4 Q9HAZ1 6/20 0.53
RPS6KB1 P23443 6/20 0.53
PKN2 Q16513 6/20 0.53
HIPK4 Q8NE63 6/20 0.53
PRKAA1 Q13131 5/20 0.53
AKT1 P31749 5/20 0.53
PRKCD Q05655 5/20 0.53
CHEK1 O14757 5/20 0.53
MKNK2 Q9HBH9 5/20 0.53
SGK2 Q9HBY8 5/20 0.53
PRKG2 Q13237 4/20 0.53

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
SCHEMBL1229918 0.88 ROCK1 (0.55) ROCK1ROCK2GSK3BPRKG1CHEK2
SCHEMBL1228843 0.86 ROCK2 (0.56) ROCK1ROCK2GSK3BPRKG1CHEK2
SCHEMBL1229167 0.82 ROCK2 (0.75) ROCK1ROCK2GSK3BPRKG1CHEK2
SCHEMBL4906887 0.76 MAPKAPK2 (0.54) ROCK1ROCK2GSK3BPRKG1CHEK2
SCHEMBL1229256 0.75 ROCK2 (0.57) ROCK1ROCK2GSK3BPRKG1CHEK2
SCHEMBL1228940 0.72 RPS6KB1 (0.44) ROCK1ROCK2GSK3BPRKG1CHEK2
SCHEMBL4911057 0.72 CHEK2 (0.50) ROCK1ROCK2GSK3BPRKG1CHEK2
SCHEMBL4908175 0.71 RPS6KB1 (0.43) ROCK1ROCK2GSK3BPRKG1CHEK2
SCHEMBL4597198 0.71 GSK3B (0.43) ROCK1ROCK2GSK3BPRKG1CHEK2
SCHEMBL4906437 0.71 RPS6KB1 (0.43) ROCK1ROCK2GSK3BPRKG1CHEK2

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 10 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
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 523/4885ROCK2 793/4885GSK3B 108/4885
US-20090036449-A1 Indazolesquaric Acid Derivatives as Chk1, Chk2 and Sgk Inhibitors CHEK2, CHEK1, SIK2 ROCK1 979/4885ROCK2 1094/4885GSK3B 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.