SCHEMBL3108641

SCHEMBL3108641

CN(C)S(=O)(=O)c1cc(-c2ccc3nccc(-c4ccc(S(C)(=O)=O)cc4)c3n2)cnc1N

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 5/20 0.42
MINK1 Q8N4C8 3/20 0.42
FYN P06241 2/20 0.42
TNIK Q9UKE5 2/20 0.42
PIK3CA P42336 2/20 0.42
AKT1 P31749 1/20 0.42
KCNH2 Q12809 4/20 0.39
PI4KB Q9UBF8 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.38
MTOR P42345 2/20 0.38
ATR Q13535 2/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
DHFR P00374 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
SCHEMBL13271698 0.89 PIK3CA (0.42) MAP4K4MINK1TNIKPIK3CAAKT1
SCHEMBL3115836 0.89 PIK3CA (0.51) MAP4K4MINK1FYNTNIKPIK3CA
SCHEMBL3117706 0.88 PIK3CA (0.40) MAP4K4MINK1TNIKPIK3CAAKT1
SCHEMBL3119875 0.88 PIK3C3 (0.40) PIK3CAAKT1PIK3C3ATRALOX5AP
SCHEMBL3121364 0.87 PIK3CA (0.43) MAP4K4MINK1TNIKPIK3CAAKT1
SCHEMBL3121729 0.84 CA9 (0.42) MAP4K4PIK3CAAKT1PIK3C3MTOR
SCHEMBL3112863 0.84 LRRK2 (0.38) MAP4K4PIK3CAAKT1KCNH2PIK3C3
SCHEMBL3121488 0.79 MAP4K4 (0.38) MAP4K4PIK3CAKCNH2PIK3C3MTOR
SCHEMBL3110852 0.78 PIK3CA (0.42) FYNPIK3CAAKT1PI4KBPIK3C3
SCHEMBL3108650 0.73 PIK3C3 (0.44) MAP4K4MINK1TNIKPIK3CAAKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179143-A1 NAPHTHYRIDINE, DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
US-20100179143-A1 NAPHTHYRIDINE, DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
EP-2154965-A1 NAPHTHYRIDINE, DERIVATIVES AS P13 KINASE INHIBITORS Glaxosmithkline LLC (US) 2010-02-24 EP disclosed
WO-2008150827-A1 NAPHTHYRIDINE, DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 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 (1 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-20100179143-A1 NAPHTHYRIDINE, DERIVATIVES AS P13 KINASE INHIBITORS INPP5D, PI4KA, PTEN MAP4K4 661/4885MINK1 536/4885FYN 85/4885

“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.