SCHEMBL1229005

SCHEMBL1229005

C[C@@H](Nc1c(Nc2ccc3[nH]nc(NC(=O)c4ccccc4)c3c2)c(=O)c1=O)c1cccc(O)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 6/20 0.52
CDK7 P50613 8/20 0.49
LRRK2 Q5S007 2/20 0.45
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
CDK2 P24941 3/20 0.44
ULK1 O75385 1/20 0.44
FGFR1 P11362 1/20 0.44
FGFR2 P21802 1/20 0.44
FGFR3 P22607 1/20 0.44
MAPK1 P28482 1/20 0.44

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) MAPKAPK2CDK7JAK2JAK1CDK2
SCHEMBL1229840 0.90 MAPKAPK2 (0.51) MAPKAPK2CDK7LRRK2JAK2JAK1
SCHEMBL1228440 0.89 MAPKAPK2 (0.55) MAPKAPK2JAK2CDK2MAPK1
SCHEMBL1230151 0.89 MAPKAPK2 (0.54) MAPKAPK2CDK7LRRK2JAK2JAK1
SCHEMBL1228408 0.84 MAPKAPK2 (0.44) MAPKAPK2CDK7LRRK2JAK2JAK1
SCHEMBL1230241 0.84 JAK2 (0.48) MAPKAPK2CDK7JAK2JAK1CDK2
SCHEMBL1228428 0.83 CDK7 (0.52) MAPKAPK2CDK7LRRK2JAK2JAK1
SCHEMBL1229205 0.83 MAPKAPK2 (0.54) MAPKAPK2CDK7JAK2JAK1CDK2
SCHEMBL1228354 0.82 MAPKAPK2 (0.60) MAPKAPK2JAK2JAK1ULK1MAPK1
SCHEMBL1230097 0.82 FADS1 (0.47) MAPKAPK2CDK7JAK2JAK1CDK2

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 MAPKAPK2 107/4885CDK7 758/4885LRRK2 384/4885
US-20090036449-A1 Indazolesquaric Acid Derivatives as Chk1, Chk2 and Sgk Inhibitors CHEK2, CHEK1, SIK2 MAPKAPK2 261/4885CDK7 327/4885LRRK2 142/4885

“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.