SCHEMBL1229657

SCHEMBL1229657

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 4/20 0.51
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
CSNK1D P48730 1/20 0.46
MAPK1 P28482 6/20 0.41
MAPK3 P27361 2/20 0.41
NTRK1 P04629 1/20 0.41
CDC7 O00311 2/20 0.40
DAPK3 O43293 1/20 0.40
PAK4 O96013 1/20 0.40
CDK2 P24941 1/20 0.40
FLT3 P36888 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CLK2 P49760 1/20 0.40
GSK3B P49841 1/20 0.40
CDK7 P50613 1/20 0.40
CDK9 P50750 1/20 0.40
PRKX P51817 1/20 0.40
CDK5 Q00535 1/20 0.40
DYRK1A Q13627 1/20 0.40

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
SCHEMBL1230151 0.92 MAPKAPK2 (0.54) MAPKAPK2JAK2JAK1CSNK1DMAPK1
SCHEMBL1229205 0.91 MAPKAPK2 (0.54) MAPKAPK2JAK2JAK1MAPK1MAPK3
SCHEMBL1229090 0.90 JAK2 (0.49) MAPKAPK2JAK2JAK1MAPK1MAPK3
SCHEMBL1230241 0.89 JAK2 (0.48) MAPKAPK2JAK2JAK1CSNK1DMAPK1
SCHEMBL1230097 0.87 FADS1 (0.47) MAPKAPK2JAK2JAK1MAPK1MAPK3
SCHEMBL1228385 0.86 CDK2 (0.47) JAK2JAK1MAPK1MAPK3NTRK1
SCHEMBL1229801 0.83 AAK1 (0.49) JAK2JAK1CSNK1DNTRK1CDK7
SCHEMBL1229470 0.82 JAK2 (0.47) MAPKAPK2JAK2JAK1CSNK1DMAPK1
SCHEMBL1229005 0.82 MAPKAPK2 (0.52) MAPKAPK2JAK2JAK1MAPK1CDK2
SCHEMBL1228963 0.81 JAK2 (0.58) JAK2JAK1NTRK1CDC7DAPK3

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 8 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
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 MAPKAPK2 107/4885JAK2 329/4885JAK1 241/4885
US-20090036449-A1 Indazolesquaric Acid Derivatives as Chk1, Chk2 and Sgk Inhibitors CHEK2, CHEK1, SIK2 MAPKAPK2 261/4885JAK2 351/4885JAK1 568/4885

“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.