SCHEMBL1229463

SCHEMBL1229463

CCNC(=O)n1ncc2cc(Nc3c(NCc4cccc(OC)c4)c(=O)c3=O)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.51
ROCK1 Q13464 5/20 0.51
GSK3B P49841 3/20 0.51
CLK4 Q9HAZ1 3/20 0.51
MAP4K4 O95819 2/20 0.51
CLK2 P49760 2/20 0.51
PRKX P51817 2/20 0.51
PRKG2 Q13237 2/20 0.51
PKN2 Q16513 2/20 0.51
AURKB Q96GD4 2/20 0.51
PBK Q96KB5 2/20 0.51
SLK Q9H2G2 2/20 0.51
EEF2K O00418 1/20 0.51
NEK4 P51957 1/20 0.51
TAOK1 Q7L7X3 1/20 0.51
MAP3K20 Q9NYL2 1/20 0.51
CHEK2 O96017 2/20 0.47
PRKACA P17612 2/20 0.47
RPS6KA3 P51812 2/20 0.47
DYRK1A Q13627 2/20 0.47

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
SCHEMBL1230054 0.90 ROCK2 (0.51) ROCK2ROCK1GSK3BCLK4MAP4K4
SCHEMBL1230417 0.76 ROCK2 (0.80) ROCK2ROCK1GSK3BCLK4MAP4K4
SCHEMBL4911196 0.73 MEN1 (0.55) ROCK2ROCK1GSK3BCLK4CLK2
SCHEMBL4917000 0.73 MEN1 (0.52) ROCK2ROCK1GSK3BCLK4MAP4K4
SCHEMBL4906875 0.72 KMT2A (0.53) ROCK2ROCK1GSK3BCLK4MAP4K4
SCHEMBL4920663 0.72 EGFR (0.49) ROCK2ROCK1GSK3BCLK4MAP4K4
SCHEMBL1229210 0.71 ROCK2 (0.51) ROCK2ROCK1GSK3BCLK4MAP4K4
SCHEMBL4917020 0.71 MAPT (0.55) ROCK2ROCK1GSK3BCLK4MAP4K4
SCHEMBL1229256 0.70 ROCK2 (0.57) ROCK2ROCK1GSK3BCLK4MAP4K4
SCHEMBL4598466 0.70 GSK3B (0.52) ROCK2ROCK1GSK3BCLK4MAP4K4

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