SCHEMBL3124366

SCHEMBL3124366

O=S(=O)(Nc1ccc(F)cc1F)c1cncc(-c2ccc3nccc(-c4cc5ccccc5o4)c3n2)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.55
PIK3C3 Q8NEB9 4/20 0.46
MTOR P42345 4/20 0.40
PIK3CG P48736 3/20 0.40
PIK3CD O00329 2/20 0.40
PIK3CB P42338 2/20 0.40
PRF1 P14222 1/20 0.39
LMNA P02545 1/20 0.39
PI4KA P42356 1/20 0.38
PTGES2 Q9H7Z7 2/20 0.37
TOP2A P11388 1/20 0.36
SLC40A1 Q9NP59 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
SCHEMBL729741 0.88 PIK3CA (0.70) PIK3CAPIK3C3MTORPIK3CGPIK3CD
SCHEMBL3105810 0.87 PIK3CA (0.59) PIK3CAPIK3C3MTORPIK3CGPIK3CD
SCHEMBL3120904 0.83 PIK3CA (0.59) PIK3CAPIK3C3MTORPIK3CGPIK3CD
SCHEMBL3108020 0.81 CA2 (0.46) PTGES2TOP2A
SCHEMBL3108674 0.81 PIK3CB (0.45) PIK3CAMTORPIK3CGPIK3CBPTGES2
SCHEMBL3115515 0.80 PIK3CA (0.59) PIK3CAPIK3C3MTORPIK3CGPIK3CD
SCHEMBL3104715 0.80 PIK3CD (0.53) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL3115921 0.80 PIK3CA (0.61) PIK3CAPIK3C3MTORPIK3CGPIK3CD
SCHEMBL3118911 0.80 PIK3CA (0.61) PIK3CAPIK3C3MTORPIK3CGPIK3CD
SCHEMBL3111999 0.80 PIK3CA (0.60) PIK3CAPIK3C3MTORPIK3CGPIK3CD

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 6 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
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
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 PIK3CA 6/4885PIK3C3 19/4885MTOR 363/4885

“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.