SCHEMBL742504

SCHEMBL742504

c1cc(-c2ccnc3ccc(-c4ccc5cn[nH]c5c4)cc23)ccn1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.81
AKT1 P31749 2/20 0.72
CCNK O75909 1/20 0.55
CDK12 Q9NYV4 1/20 0.55
FGFR1 P11362 7/20 0.50
CLK1 P49759 1/20 0.50
BRAF P15056 1/20 0.49
FGFR2 P21802 2/20 0.47
FGFR3 P22607 1/20 0.47
TLR8 Q9NR97 1/20 0.46
PIK3CD O00329 1/20 0.45
PIK3CB P42338 1/20 0.45
MAPK1 P28482 2/20 0.43
PLK4 O00444 1/20 0.43
CHEK1 O14757 1/20 0.43
PDPK1 O15530 1/20 0.43
DYRK3 O43781 1/20 0.43
JAK2 O60674 1/20 0.43
ROCK2 O75116 1/20 0.43
PRKD3 O94806 1/20 0.43

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
SCHEMBL729816 0.90 PIK3CA (1.00) PIK3CAAKT1CCNKCDK12CLK1
SCHEMBL729854 0.84 PIK3CA (1.00) PIK3CAAKT1CLK1PIK3CDPIK3CB
SCHEMBL730195 0.82 PIK3CA (0.84) PIK3CAAKT1CLK1PIK3CDPIK3CB
SCHEMBL729497 0.81 PIK3CA (0.60) PIK3CAAKT1CCNKCDK12CLK1
SCHEMBL730188 0.80 PIK3CA (0.87) PIK3CAAKT1CLK1PIK3CDPIK3CB
SCHEMBL27976107 0.80 CLK1 (0.74) PIK3CACCNKCDK12FGFR1CLK1
SCHEMBL732146 0.79 PIK3CA (0.64) PIK3CAAKT1CLK1PIK3CDPIK3CB
SCHEMBL729857 0.78 PIK3CA (0.62) PIK3CAAKT1CLK1PIK3CDPIK3CB
SCHEMBL731711 0.77 PDPK1 (0.68) PIK3CAAKT1PDPK1JAK2MAP4K4
SCHEMBL10156122 0.77 PIK3CA (0.71) PIK3CAAKT1CLK1PIK3CDPIK3CB

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 40 patents — showing the first 20. 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
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-20140296224-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2014-10-02 US 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-8785433-B2 Quinoline derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2014-07-22 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-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
US-20080300239-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2008-12-04 US 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-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
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 (4 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 13/4885AKT1 95/4885CCNK 392/4885
US-20140100234-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB PIK3CA 6/4885AKT1 66/4885CCNK 622/4885
US-20140296224-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB PIK3CA 6/4885AKT1 66/4885CCNK 622/4885
US-20080300239-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB PIK3CA 6/4885AKT1 66/4885CCNK 622/4885

“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.