SCHEMBL4261932

SCHEMBL4261932

Cn1nc(-c2ccc(NC(=O)OC(C)(C)C)c(F)c2)c2cnc(S(C)(=O)=O)nc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.44
ABL1 P00519 4/20 0.38
PIK3CD O00329 2/20 0.38
EGFR P00533 2/20 0.38
KDR P35968 2/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CG P48736 2/20 0.38
PRKDC P78527 2/20 0.38
BACE1 P56817 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
TLR7 Q9NYK1 7/20 0.38
TLR9 Q9NR96 6/20 0.38
TLR8 Q9NR97 6/20 0.38
RIPK1 Q13546 1/20 0.37
SRC P12931 2/20 0.36
BRD9 Q9H8M2 1/20 0.36
HCK P08631 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
EPHB4 P54760 1/20 0.36

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
SCHEMBL4270525 0.85 MAP4K4 (0.41) CYP17A1SRCHCKGSK3BDYRK1A
SCHEMBL4263103 0.85 CYP17A1 (0.44) CYP17A1ABL1PIK3CDEGFRKDR
SCHEMBL4263910 0.81 RIPK1 (0.43) KDRRIPK1SCN9A
SCHEMBL4257158 0.78 CD274 (0.44) ABL1KDRTLR7RIPK1SRC
SCHEMBL4228716 0.77 TLR7 (0.48) TLR7TLR9TLR8
SCHEMBL4048637 0.71 TLR7 (0.52) PIK3CATLR7TLR9TLR8BRD9
SCHEMBL4411685 0.70 MAPT (0.40) CYP17A1ABL1PIK3CDEGFRKDR
SCHEMBL30878695 0.70 BRD9 (0.40) TLR9BRD9
SCHEMBL4263914 0.69 MERTK (0.38) ABL1PIK3CDEGFRKDRPIK3CA
SCHEMBL3830430 0.69 F10 (0.52) CYP17A1F10

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-20090029989-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES ADAMS JERRY LEROY 2009-01-29 US disclosed
EP-1432714-B1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-08-06 EP disclosed
US-20070293489-A1 Substituted Pyrazolopyrimidines ADAMS JERRY 2007-12-20 US disclosed
US-7217710-B2 Substituted pyrazolopyrimidines SMITHKLINE BEECHAM CORPORATION (US) 2007-05-15 US disclosed
EP-1432714-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2005-10-19 EP disclosed
US-20040198751-A1 Pyrazolo-pyrimidine compound; anticancer agents SMITHKLINE BEECHAM CORPORATION 2004-10-07 US disclosed
EP-1432714-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-30 EP disclosed
WO-2003029209-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-10 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 (3 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-20070293489-A1 Substituted Pyrazolopyrimidines DPYD, TPMT, TYMP CYP17A1 1781/4885ABL1 67/4885PIK3CD 2609/4885
US-20090029989-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES DPYD, TPMT, TYMP CYP17A1 1781/4885ABL1 67/4885PIK3CD 2609/4885
US-20040198751-A1 Pyrazolo-pyrimidine compound; anticancer agents DPYD, TYMP, TYMS CYP17A1 4121/4885ABL1 297/4885PIK3CD 1281/4885

“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.