SCHEMBL729542

SCHEMBL729542

O=C1NC(=O)C(=Cc2cncc(-c3ccc4nccc(-c5ccncc5)c4c3)c2)S1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 10/20 0.77
▸ PIK3CD O00329 2/20 0.77
▸ CSNK2A2 P19784 2/20 0.77
▸ PIK3CB P42338 2/20 0.77
▸ MTOR P42345 2/20 0.77
▸ PIK3CG P48736 2/20 0.77
▸ CLK1 P49759 2/20 0.77
▸ DYRK1A Q13627 2/20 0.77
▸ GAK O14976 1/20 0.77
▸ RPS6KA4 O75676 1/20 0.77
▸ STK10 O94804 1/20 0.77
▸ PIM1 P11309 1/20 0.77
▸ MAP2K2 P36507 1/20 0.77
▸ CSNK1D P48730 1/20 0.77
▸ CLK2 P49760 1/20 0.77
▸ CSNK1G2 P78368 1/20 0.77
▸ MAP2K1 Q02750 1/20 0.77
▸ AAK1 Q2M2I8 1/20 0.77
▸ Q6ZSR9 Q6ZSR9 1/20 0.77
▸ TAOK1 Q7L7X3 1/20 0.77

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
SCHEMBL729541 1.00 PIK3CA (0.77) PIK3CAPIK3CDCSNK2A2PIK3CBMTOR
Gsk-1059615 SCHEMBL29351551 0.88 PIK3CA (1.00) PIK3CAPIK3CDCSNK2A2PIK3CBMTOR
Gsk-1059615 SCHEMBL29381321 0.88 PIK3CA (1.00) PIK3CAPIK3CDCSNK2A2PIK3CBMTOR
Gsk-1059615 SCHEMBL1805561 0.88 PIK3CA (1.00) PIK3CAPIK3CDCSNK2A2PIK3CBMTOR
Gsk-1059615 SCHEMBL1805560 0.88 PIK3CA (1.00) PIK3CAPIK3CDCSNK2A2PIK3CBMTOR
Gsk-1059615 SCHEMBL1805557 0.88 PIK3CA (1.00) PIK3CAPIK3CDCSNK2A2PIK3CBMTOR
SCHEMBL4396728 0.80 PIK3CA (0.77) PIK3CAPIK3CDCSNK2A2PIK3CBMTOR
SCHEMBL4396725 0.80 PIK3CA (0.77) PIK3CAPIK3CDCSNK2A2PIK3CBMTOR
SCHEMBL4402070 0.77 PIM1 (0.72) PIK3CAPIK3CDCSNK2A2PIK3CBMTOR
SCHEMBL4402072 0.77 PIM1 (0.72) PIK3CAPIK3CDCSNK2A2PIK3CBMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140296224-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2014-10-02 — — US claimed
US-8404837-B2 Quinoline derivatives as P13 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2013-03-26 — — US claimed
EP-2596793-B1 Quinoline derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2015-07-08 — — EP disclosed
US-20140296224-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2014-10-02 — — US disclosed
US-8785433-B2 Quinoline derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2014-07-22 — — US disclosed
US-20140100234-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-04-10 — — US disclosed
US-8633187-B2 Quinoline derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2014-01-21 — — US disclosed
EP-2596793-A1 Quinoline derivatives as PI3 kinase inhibitors Glaxosmithkline LLC (US) 2013-05-29 — — EP disclosed
US-8404837-B2 Quinoline derivatives as P13 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2013-03-26 — — US disclosed
US-20120165321-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2012-06-28 — — US disclosed
US-8138347-B2 Quinoline derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-03-20 — — US disclosed
US-20100168100-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2010-07-01 — — US disclosed
US-20100152112-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2010-06-17 — — US disclosed
EP-2192902-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-06-09 — — EP disclosed
US-20080300239-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2008-12-04 — — US disclosed
WO-2008144464-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 — — WO disclosed
WO-2008144463-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 — — 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 (6 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-20100152112-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS JAK3, PI4KA, PIP4K2A PIK3CA 13/4885PIK3CD 4/4885CSNK2A2 1600/4885
US-20140100234-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB PIK3CA 6/4885PIK3CD 1/4885CSNK2A2 1838/4885
US-20100168100-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS JAK3, PI4KA, PIP4K2A PIK3CA 13/4885PIK3CD 4/4885CSNK2A2 1600/4885
US-20120165321-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB PIK3CA 6/4885PIK3CD 1/4885CSNK2A2 1838/4885
US-20140296224-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB PIK3CA 6/4885PIK3CD 1/4885CSNK2A2 1838/4885
US-20080300239-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB PIK3CA 6/4885PIK3CD 1/4885CSNK2A2 1838/4885

“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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