SCHEMBL2946111

SCHEMBL2946111

NS(=O)(=O)c1cccc(Nc2nccc(-c3ccc(NC(=O)COc4ccccc4)cc3)n2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 6/20 0.63
MTOR P42345 5/20 0.63
CDK2 P24941 5/20 0.63
PIK3CA P42336 2/20 0.63
PIK3CG P48736 2/20 0.63
IKBKB O14920 8/20 0.63
SMG1 Q96Q15 4/20 0.54
KDR P35968 2/20 0.54
GSK3B P49841 2/20 0.53
DKK1 O94907 1/20 0.53
JAK2 O60674 4/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
JAK3 P52333 2/20 0.52
NAMPT P43490 1/20 0.51
CDC7 O00311 1/20 0.51
PLK4 O00444 1/20 0.51
CHEK1 O14757 1/20 0.51
AURKA O14965 1/20 0.51
DCLK1 O15075 1/20 0.51

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
SCHEMBL3518288 0.87 IKBKB (0.82) CDK1MTORCDK2PIK3CAPIK3CG
SCHEMBL3015105 0.87 CDK5 (0.60) PIK3CAPIK3CGIKBKBGSK3BJAK2
SCHEMBL2938991 0.86 JAK2 (0.56) PIK3CAPIK3CGIKBKBGSK3BJAK2
SCHEMBL3521443 0.84 IKBKB (0.81) CDK1MTORCDK2PIK3CAPIK3CG
SCHEMBL14348380 0.84 KMT2A (0.52) CDK1MTORCDK2PIK3CAPIK3CG
SCHEMBL3518244 0.81 IKBKB (0.85) CDK1MTORCDK2PIK3CAPIK3CG
SCHEMBL14348340 0.81 MAPT (0.60) PIK3CGGSK3BJAK2HDAC1HDAC6
SCHEMBL3516842 0.80 IKBKB (0.65) CDK1MTORCDK2PIK3CAPIK3CG
SCHEMBL3524262 0.78 IKBKB (1.00) IKBKBGSK3BDKK1JAK2HDAC1
SCHEMBL3523274 0.78 ABL1 (0.65) CDK1MTORCDK2PIK3CAPIK3CG

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069314-A1 PYRIMIDINES DERIVATIVES AND THEIR USE AS KINASE INHIBITORS CGI Pharmaceuticals, Inc. (US) 2009-06-17 EP claimed
US-20080125417-A1 CERTAIN PYRIMIDINES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. 2008-05-29 US claimed
WO-2008033834-A1 PYRIMIDINES DERIVATIVES AND THEIR USE AS KINASE INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2008-03-20 WO claimed
EP-2172460-A1 Compositions useful as inhibitors of JAK and other protein kinases Vertex Pharmaceuticals Incorporated (US) 2010-04-07 EP disclosed
EP-1562911-B1 COMPOSITIONS USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2010-01-06 EP disclosed
EP-2069314-A1 PYRIMIDINES DERIVATIVES AND THEIR USE AS KINASE INHIBITORS CGI Pharmaceuticals, Inc. (US) 2009-06-17 EP disclosed
US-20080125417-A1 CERTAIN PYRIMIDINES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. 2008-05-29 US disclosed
WO-2008033834-A1 PYRIMIDINES DERIVATIVES AND THEIR USE AS KINASE INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2008-03-20 WO disclosed
US-7312227-B2 Compositions useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-25 US disclosed
US-7312227-B2 Compositions useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-25 US disclosed
US-7312227-B2 Compositions useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-25 US disclosed
EP-1562911-A1 COMPOSITIONS USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2005-08-17 EP disclosed
US-20040147507-A1 Compositions useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2004-07-29 US disclosed
WO-2004041789-A1 COMPOSITIONS USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-05-21 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-20040147507-A1 Compositions useful as inhibitors of JAK and other protein kinases JAK1, JAK2, JAK3 CDK1 113/4885MTOR 129/4885CDK2 250/4885
US-20080125417-A1 CERTAIN PYRIMIDINES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, SYK, TK1 CDK1 221/4885MTOR 1798/4885CDK2 107/4885

“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.