SCHEMBL1230241

SCHEMBL1230241

C[C@@H](Nc1c(Nc2ccc3[nH]nc(NC(=O)c4cccc(Cl)c4)c3c2)c(=O)c1=O)c1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.48
JAK1 P23458 1/20 0.48
FADS1 O60427 3/20 0.44
MAPK1 P28482 8/20 0.44
MAPK3 P27361 2/20 0.44
MAPKAPK2 P49137 4/20 0.44
CDC7 O00311 4/20 0.42
DAPK3 O43293 2/20 0.42
PAK4 O96013 2/20 0.42
FLT3 P36888 2/20 0.42
CSNK1A1 P48729 2/20 0.42
CLK2 P49760 2/20 0.42
CDK7 P50613 2/20 0.42
CDK9 P50750 2/20 0.42
PRKX P51817 2/20 0.42
CDK5 Q00535 2/20 0.42
DYRK1A Q13627 2/20 0.42
HIPK2 Q9H2X6 2/20 0.42
STK17A Q9UEE5 2/20 0.42
MAP4K5 Q9Y4K4 2/20 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
SCHEMBL1229090 0.92 JAK2 (0.49) JAK2JAK1FADS1MAPK1MAPK3
SCHEMBL1229205 0.90 MAPKAPK2 (0.54) JAK2JAK1FADS1MAPK1MAPK3
SCHEMBL1230097 0.89 FADS1 (0.47) JAK2JAK1FADS1MAPK1MAPK3
SCHEMBL1229657 0.89 MAPKAPK2 (0.51) JAK2JAK1FADS1MAPK1MAPK3
SCHEMBL1229470 0.87 JAK2 (0.47) JAK2JAK1FADS1MAPK1MAPK3
SCHEMBL1230318 0.85 MAPKAPK2 (0.43) JAK2JAK1FADS1MAPK1MAPK3
SCHEMBL1229005 0.84 MAPKAPK2 (0.52) JAK2JAK1MAPK1MAPKAPK2CDK7
SCHEMBL1228651 0.83 JAK2 (0.50) JAK2JAK1FADS1MAPK1MAPK3
SCHEMBL1228963 0.81 JAK2 (0.58) JAK2JAK1FADS1CDC7DAPK3
SCHEMBL1229840 0.81 MAPKAPK2 (0.51) JAK2JAK1MAPKAPK2CDC7DAPK3

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 JAK2 329/4885JAK1 241/4885FADS1 3557/4885
US-20090036449-A1 Indazolesquaric Acid Derivatives as Chk1, Chk2 and Sgk Inhibitors CHEK2, CHEK1, SIK2 JAK2 351/4885JAK1 568/4885FADS1 973/4885

“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.