Sugi Predict

Sugi Predict / Compounds / SCHEMBL731829

SCHEMBL731829

SCHEMBL731829

c1cc(N2CCCCC2)c2cc(-c3cnc4nc[nH]c4c3)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 4/20 0.48
▸ CHKA P35790 1/20 0.43
▸ CLK2 P49760 1/20 0.41
▸ CLK3 P49761 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ NCF1 P14598 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ROCK2 O75116 3/20 0.39
▸ ROCK1 Q13464 3/20 0.39
▸ CDC42BPB Q9Y5S2 3/20 0.39
▸ WNT1 P04628 3/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ PRKDC P78527 1/20 0.39
▸ PIK3C3 Q8NEB9 1/20 0.39

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
SCHEMBL731538 0.89 PIK3CA (0.49) PIK3CANCF1PIK3CDPIK3CBMTOR
SCHEMBL740247 0.83 PIK3CA (0.51) PIK3CACHKACLK2CLK3DYRK1A
SCHEMBL732237 0.79 PIK3CA (0.58) PIK3CACHKACLK2CLK3DYRK1A
SCHEMBL729857 0.74 PIK3CA (0.62) PIK3CACLK2DYRK1APIK3CDPIK3CB
SCHEMBL742640 0.72 PIK3CA (0.52) PIK3CANCF1PIK3CDPIK3CBMTOR
SCHEMBL16882885 0.69 PIK3CA (0.57) PIK3CANCF1MTORPIK3C3PIM1
SCHEMBL15551945 0.69 MAP3K8 (0.55) IP6K1MAP3K8
SCHEMBL731691 0.69 NCF1 (0.74) PIK3CACHKANCF1PKMALOX15
SCHEMBL732350 0.68 PIK3CA (0.56) PIK3CACLK2CLK3DYRK1AALOX15
SCHEMBL732132 0.68 PIK3CA (0.58) PIK3CANCF1PIK3CDPIK3CBMTOR

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 19 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
CN-101754759-B Quinoline derivatives as PI3 kinase inhibitors SMITHKLINE BEECHAM CORP 2013-10-09 — — CN 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
CN-101754759-A Quinoline derivatives as PI3 kinase inhibitors SMITHKLINE BEECHAM CORP 2010-06-23 — — CN 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 13/4885CHKA 277/4885CLK2 670/4885
US-20140100234-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB PIK3CA 6/4885CHKA 208/4885CLK2 655/4885
US-20100168100-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS JAK3, PI4KA, PIP4K2A PIK3CA 13/4885CHKA 277/4885CLK2 670/4885
US-20120165321-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB PIK3CA 6/4885CHKA 208/4885CLK2 655/4885
US-20140296224-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB PIK3CA 6/4885CHKA 208/4885CLK2 655/4885
US-20080300239-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB PIK3CA 6/4885CHKA 208/4885CLK2 655/4885

“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.