SCHEMBL1229709

SCHEMBL1229709

COc1cccc([C@@H](C)Nc2c(Nc3ccc4[nH]ncc4c3)c(=O)c2=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 9/20 0.58
ROCK2 O75116 8/20 0.58
GSK3B P49841 2/20 0.58
PRKG1 Q13976 2/20 0.58
CLK4 Q9HAZ1 2/20 0.58
GSK3A P49840 2/20 0.58
MAPKAPK2 P49137 4/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
KDR P35968 2/20 0.51
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
JAK2 O60674 2/20 0.47
CHEK2 O96017 2/20 0.47
PRKACA P17612 2/20 0.47
RPS6KA3 P51812 2/20 0.47
PRKCD Q05655 2/20 0.47
PRKAA1 Q13131 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
SCHEMBL1228404 0.87 MAPKAPK2 (0.61) ROCK1ROCK2GSK3BPRKG1CLK4
SCHEMBL1229860 0.85 MAPKAPK2 (0.49) ROCK1ROCK2GSK3BPRKG1CLK4
SCHEMBL1228321 0.85 MAPKAPK2 (0.49) ROCK1ROCK2GSK3BPRKG1CLK4
SCHEMBL4910793 0.82 ROCK2 (0.56) ROCK1ROCK2GSK3BPRKG1CLK4
SCHEMBL4910782 0.82 ROCK2 (0.56) ROCK1ROCK2GSK3BPRKG1CLK4
SCHEMBL4910807 0.82 ROCK2 (0.56) ROCK1ROCK2GSK3BPRKG1CLK4
SCHEMBL8178391 0.82 KDR (0.50) ROCK1ROCK2GSK3BPRKG1CLK4
SCHEMBL1230270 0.82 MAPKAPK2 (0.52) ROCK1ROCK2GSK3BPRKG1CLK4
SCHEMBL4598170 0.80 MAPKAPK2 (0.58) ROCK1ROCK2GSK3BCLK4GSK3A
SCHEMBL4908999 0.80 MAPKAPK2 (0.58) ROCK1ROCK2GSK3BCLK4GSK3A

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
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
US-20090036449-A1 Indazolesquaric Acid Derivatives as Chk1, Chk2 and Sgk Inhibitors MERCK PATENT GMBH (DE) 2009-02-05 US 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.