SCHEMBL1228385

SCHEMBL1228385

CS(=O)(=O)Nc1cccc(CNc2c(Nc3ccc4[nH]nc(NC(=O)c5cccc(Cl)c5)c4c3)c(=O)c2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.47
JAK2 O60674 3/20 0.47
DAPK3 O43293 3/20 0.47
CLK2 P49760 3/20 0.47
PRKX P51817 3/20 0.47
CDK5 Q00535 3/20 0.47
DYRK1A Q13627 3/20 0.47
STK17A Q9UEE5 3/20 0.47
AURKB Q96GD4 3/20 0.47
MAPK1 P28482 3/20 0.47
ROCK2 O75116 3/20 0.47
GSK3B P49841 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
ROCK1 Q13464 2/20 0.47
MAP4K4 O95819 2/20 0.47
PRKACA P17612 2/20 0.47
PLK4 O00444 1/20 0.47
CHEK1 O14757 1/20 0.47
DYRK3 O43781 1/20 0.47
PRKD3 O94806 1/20 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
SCHEMBL1228393 0.92 CDK2 (0.50) CDK2JAK2DAPK3CLK2PRKX
SCHEMBL1230523 0.90 AURKB (0.60) CDK2JAK2DAPK3CLK2PRKX
SCHEMBL1228960 0.88 JAK2 (0.52) CDK2JAK2DAPK3CLK2PRKX
SCHEMBL1228651 0.87 JAK2 (0.50) CDK2JAK2DAPK3CLK2PRKX
SCHEMBL1230072 0.86 CDC7 (0.51) CDK2JAK2DAPK3CLK2PRKX
SCHEMBL1229657 0.86 MAPKAPK2 (0.51) CDK2JAK2DAPK3CLK2PRKX
SCHEMBL1229801 0.84 AAK1 (0.49) JAK2CLK4ROCK1CHEK1PRKD3
SCHEMBL1228963 0.82 JAK2 (0.58) CDK2JAK2DAPK3CLK2PRKX
SCHEMBL1229663 0.81 JAK2 (0.49) CDK2JAK2DAPK3CLK2PRKX
SCHEMBL1230073 0.80 FADS1 (0.56) CDK2JAK2DAPK3CLK2PRKX

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 CDK2 1674/4885JAK2 329/4885DAPK3 183/4885
US-20090036449-A1 Indazolesquaric Acid Derivatives as Chk1, Chk2 and Sgk Inhibitors CHEK2, CHEK1, SIK2 CDK2 102/4885JAK2 351/4885DAPK3 643/4885

“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.