SCHEMBL4401676

SCHEMBL4401676

CN1C(=O)SC(=Cc2ccc3nccc(-c4ccncc4)c3c2)C1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.65
PIK3CD O00329 1/20 0.65
GAK O14976 1/20 0.65
RPS6KA4 O75676 1/20 0.65
STK10 O94804 1/20 0.65
PIM1 P11309 1/20 0.65
CSNK2A2 P19784 1/20 0.65
MAP2K2 P36507 1/20 0.65
PIK3CB P42338 1/20 0.65
MTOR P42345 1/20 0.65
CSNK1D P48730 1/20 0.65
PIK3CG P48736 1/20 0.65
CLK1 P49759 1/20 0.65
CLK2 P49760 1/20 0.65
CSNK1G2 P78368 1/20 0.65
MAP2K1 Q02750 1/20 0.65
DYRK1A Q13627 1/20 0.65
AAK1 Q2M2I8 1/20 0.65
Q6ZSR9 Q6ZSR9 1/20 0.65
TAOK1 Q7L7X3 1/20 0.65

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
SCHEMBL4401670 1.00 PIK3CA (0.65) PIK3CAPIK3CDGAKRPS6KA4STK10
Gsk-1059615 SCHEMBL1805557 0.79 PIK3CA (1.00) PIK3CAPIK3CDGAKRPS6KA4STK10
Gsk-1059615 SCHEMBL29351551 0.79 PIK3CA (1.00) PIK3CAPIK3CDGAKRPS6KA4STK10
Gsk-1059615 SCHEMBL1805560 0.79 PIK3CA (1.00) PIK3CAPIK3CDGAKRPS6KA4STK10
Gsk-1059615 SCHEMBL1805561 0.79 PIK3CA (1.00) PIK3CAPIK3CDGAKRPS6KA4STK10
Gsk-1059615 SCHEMBL29381321 0.79 PIK3CA (1.00) PIK3CAPIK3CDGAKRPS6KA4STK10
SCHEMBL13739026 0.74 PIK3CA (0.76) PIK3CAPIK3CDGAKRPS6KA4STK10
SCHEMBL27224263 0.74 PIK3CA (0.76) PIK3CAPIK3CDGAKRPS6KA4STK10
SCHEMBL732106 0.73 PIK3CA (0.60) PIK3CAPIK3CDGAKRPS6KA4STK10
SCHEMBL30827802 0.73 PIK3CA (0.60) PIK3CAPIK3CDGAKRPS6KA4STK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306074-A1 THIAZOLIDINEDIONE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-12-10 US claimed
EP-2004189-A2 THIAZOLIDINEDIONE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 EP claimed
WO-2007136940-A2 THIAZOLIDINEDIONE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-11-29 WO claimed
US-20090306074-A1 THIAZOLIDINEDIONE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-12-10 US disclosed
EP-2004189-A2 THIAZOLIDINEDIONE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 EP disclosed
US-20080255115-A1 THIAZOLIDINEDIONE DERIVATIVES AS PI3 KINASE INHIBITORS DARCY MICHAEL GERARD 2008-10-16 US disclosed
WO-2007136940-A2 THIAZOLIDINEDIONE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-11-29 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-20080255115-A1 THIAZOLIDINEDIONE DERIVATIVES AS PI3 KINASE INHIBITORS PI4KA, JAK3, PIK3CD PIK3CA 14/4885PIK3CD 3/4885GAK 1381/4885
US-20090306074-A1 THIAZOLIDINEDIONE DERIVATIVES AS P13 KINASE INHIBITORS JAK3, DPP3, ADRB3 PIK3CA 43/4885PIK3CD 27/4885GAK 1919/4885

“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.