SCHEMBL4262106

SCHEMBL4262106

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 9/20 0.45
▸ TLR9 Q9NR96 8/20 0.45
▸ TLR8 Q9NR97 8/20 0.45
▸ KDM5B Q9UGL1 1/20 0.37
▸ KIT P10721 1/20 0.37
▸ SCN9A Q15858 2/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ PIK3CD O00329 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ HCK P08631 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ EPHB4 P54760 1/20 0.34
▸ PRKDC P78527 1/20 0.34
▸ ALOX5AP P20292 1/20 0.34

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
SCHEMBL4707941 0.89 TLR7 (0.46) TLR7TLR9TLR8KDM5BKIT
SCHEMBL4228716 0.84 TLR7 (0.48) TLR7TLR9TLR8BRD4ALDH1A1
SCHEMBL4047659 0.83 TLR7 (0.60) TLR7TLR9TLR8KDM5BKIT
SCHEMBL4263914 0.83 MERTK (0.38) TLR7TLR9TLR8PIK3CDABL1
SCHEMBL6222690 0.78 GRM5 (0.44) ALDH1A1HSD17B10MAPK1
SCHEMBL4261932 0.77 CYP17A1 (0.44) TLR7TLR9TLR8SCN9APIK3CD
SCHEMBL4048637 0.76 TLR7 (0.52) TLR7TLR9TLR8KITBRD4
SCHEMBL4264648 0.75 EGFR (0.38) TLR7TLR9TLR8EGFRPIK3CA
SCHEMBL4262479 0.74 TLR7 (0.61) TLR7TLR9TLR8PIK3CDABL1
SCHEMBL4263910 0.74 RIPK1 (0.43) SCN9AKDR

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 TLR7 2845/4885TLR9 3859/4885TLR8 3617/4885
US-20090029989-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES DPYD, TPMT, TYMP TLR7 2845/4885TLR9 3859/4885TLR8 3617/4885
US-20040198751-A1 Pyrazolo-pyrimidine compound; anticancer agents DPYD, TYMP, TYMS TLR7 3443/4885TLR9 3388/4885TLR8 3783/4885

“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.

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