SCHEMBL1228404

SCHEMBL1228404

C[C@@H](Nc1c(Nc2ccc3[nH]ncc3c2)c(=O)c1=O)c1cccc(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 11/20 0.61
ROCK1 Q13464 7/20 0.52
ROCK2 O75116 5/20 0.52
AURKB Q96GD4 5/20 0.52
GSK3B P49841 3/20 0.52
CLK4 Q9HAZ1 3/20 0.52
CHEK2 O96017 3/20 0.52
CDC42BPA Q5VT25 3/20 0.52
MAPK1 P28482 3/20 0.52
PRKG1 Q13976 2/20 0.52
JAK2 O60674 2/20 0.52
PRKACA P17612 2/20 0.52
RPS6KA3 P51812 2/20 0.52
PRKCD Q05655 2/20 0.52
PRKAA1 Q13131 2/20 0.52
DYRK1A Q13627 2/20 0.52
PRKD2 Q9BZL6 2/20 0.52
PRKX P51817 2/20 0.52
BRSK1 Q8TDC3 2/20 0.52
STK17A Q9UEE5 2/20 0.52

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
SCHEMBL1229709 0.87 ROCK1 (0.58) MAPKAPK2ROCK1ROCK2AURKBGSK3B
SCHEMBL4910782 0.86 ROCK2 (0.56) MAPKAPK2ROCK1ROCK2AURKBGSK3B
SCHEMBL4910793 0.86 ROCK2 (0.56) MAPKAPK2ROCK1ROCK2AURKBGSK3B
SCHEMBL4910807 0.86 ROCK2 (0.56) MAPKAPK2ROCK1ROCK2AURKBGSK3B
SCHEMBL1229134 0.84 MAPKAPK2 (0.59) MAPKAPK2ROCK1ROCK2AURKBGSK3B
SCHEMBL1228354 0.80 MAPKAPK2 (0.60) MAPKAPK2ROCK1ROCK2AURKBGSK3B
SCHEMBL1229252 0.80 MAPKAPK2 (0.59) MAPKAPK2ROCK1ROCK2AURKBGSK3B
SCHEMBL4598811 0.79 MAPKAPK2 (0.61) MAPKAPK2ROCK1ROCK2AURKBGSK3B
SCHEMBL4596962 0.79 MAPKAPK2 (0.61) MAPKAPK2ROCK1ROCK2AURKBGSK3B
SCHEMBL4627720 0.79 MAPKAPK2 (0.60) MAPKAPK2ROCK1ROCK2AURKBGSK3B

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 MAPKAPK2 107/4885ROCK1 523/4885ROCK2 793/4885
US-20090036449-A1 Indazolesquaric Acid Derivatives as Chk1, Chk2 and Sgk Inhibitors CHEK2, CHEK1, SIK2 MAPKAPK2 261/4885ROCK1 979/4885ROCK2 1094/4885

“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.