SCHEMBL1229136

SCHEMBL1229136

O=c1c(NCc2cccc(Cl)c2)c(Nc2ccc3[nH]ncc3c2)c1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.71
ROCK1 Q13464 10/20 0.71
AURKB Q96GD4 4/20 0.71
JAK2 O60674 3/20 0.71
PRKACA P17612 3/20 0.71
RPS6KA3 P51812 3/20 0.71
PRKCD Q05655 3/20 0.71
PRKAA1 Q13131 3/20 0.71
DYRK1A Q13627 3/20 0.71
CDC42BPA Q5VT25 3/20 0.71
PRKD2 Q9BZL6 3/20 0.71
GSK3A P49840 3/20 0.71
IRAK4 Q9NWZ3 3/20 0.71
CHEK2 O96017 2/20 0.71
PAK1 Q13153 1/20 0.71
GSK3B P49841 4/20 0.71
PRKG1 Q13976 3/20 0.71
CLK4 Q9HAZ1 3/20 0.71
PRKD3 O94806 3/20 0.71
MKNK2 Q9HBH9 3/20 0.71

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
SCHEMBL1229167 0.88 ROCK2 (0.75) ROCK2ROCK1AURKBJAK2PRKACA
SCHEMBL13122260 0.85 ROCK2 (0.59) ROCK2ROCK1AURKBJAK2PRKACA
SCHEMBL1230417 0.85 ROCK2 (0.80) ROCK2ROCK1AURKBJAK2PRKACA
SCHEMBL1228327 0.84 ROCK2 (0.66) ROCK2ROCK1AURKBJAK2PRKACA
SCHEMBL1228234 0.81 JAK2 (0.52) ROCK2ROCK1AURKBJAK2PRKACA
SCHEMBL4905492 0.79 ROCK1 (0.46) ROCK2ROCK1AURKBJAK2PRKACA
SCHEMBL4629366 0.78 PIK3CD (0.46) ROCK2ROCK1AURKBJAK2PRKACA
SCHEMBL4909142 0.76 CHEK2 (0.50) ROCK2ROCK1AURKBJAK2PRKACA
SCHEMBL1457310 0.73 MEN1 (0.66) ROCK2ROCK1JAK2DYRK1APRKD2
SCHEMBL4914062 0.73 CHEK2 (0.46) ROCK2ROCK1AURKBJAK2PRKACA

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
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

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 523/4885AURKB 538/4885
US-20090036449-A1 Indazolesquaric Acid Derivatives as Chk1, Chk2 and Sgk Inhibitors CHEK2, CHEK1, SIK2 ROCK2 1094/4885ROCK1 979/4885AURKB 37/4885

“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.