SCHEMBL1229231

SCHEMBL1229231

COc1cccc(CNc2c(Nc3cc(C)c4[nH]nc(N)c4c3)c(=O)c2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GSK3B P49841 5/20 0.44
ROCK1 Q13464 5/20 0.44
GSK3A P49840 4/20 0.44
ROCK2 O75116 4/20 0.44
PRKG1 Q13976 4/20 0.44
CLK4 Q9HAZ1 3/20 0.44
RPS6KB1 P23443 5/20 0.43
PRKACA P17612 4/20 0.43
RPS6KA3 P51812 4/20 0.43
CDC42BPA Q5VT25 4/20 0.43
AURKB Q96GD4 4/20 0.43
CSNK1G3 Q9Y6M4 3/20 0.43
ERBB2 P04626 1/20 0.43
IRAK1 P51617 1/20 0.43
MAPT P10636 2/20 0.43
CHEK2 O96017 3/20 0.42
AKT1 P31749 3/20 0.42

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
SCHEMBL1228940 0.87 RPS6KB1 (0.44) KMT2AGSK3BROCK1GSK3AROCK2
SCHEMBL1229259 0.85 ROCK1 (0.54) POLBMEN1KMT2AGSK3BROCK1
SCHEMBL1229256 0.83 ROCK2 (0.57) POLBMEN1KMT2AGSK3BROCK1
SCHEMBL1228530 0.83 ILK (0.42) GSK3BROCK1GSK3AROCK2PRKG1
SCHEMBL4917466 0.81 MEN1 (0.52) POLBMEN1KMT2AGSK3BROCK1
SCHEMBL1229094 0.81 MAPKAPK2 (0.49) POLBMEN1KMT2AGSK3BROCK1
SCHEMBL1229617 0.79 GSK3B (0.45) GSK3BROCK1GSK3AROCK2PRKG1
SCHEMBL4906875 0.77 KMT2A (0.53) POLBMEN1KMT2AGSK3BROCK1
SCHEMBL1228843 0.75 ROCK2 (0.56) POLBMEN1KMT2AGSK3BROCK1
SCHEMBL4911196 0.74 MEN1 (0.55) POLBMEN1KMT2AGSK3BROCK1

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 POLB 4794/4885MEN1 957/4885KMT2A 2914/4885
US-20090036449-A1 Indazolesquaric Acid Derivatives as Chk1, Chk2 and Sgk Inhibitors CHEK2, CHEK1, SIK2 POLB 1096/4885MEN1 3313/4885KMT2A 2460/4885

“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.