SCHEMBL741344

SCHEMBL741344

COC(=O)c1cc(-c2ccc3nccc(-c4ccncc4)c3c2)cnc1N

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.61
AKT1 P31749 2/20 0.61
IKBKE Q14164 2/20 0.52
TBK1 Q9UHD2 2/20 0.52
MTOR P42345 2/20 0.50
AXL P30530 1/20 0.49
NEK1 Q96PY6 1/20 0.46
PIK3CB P42338 2/20 0.45
PIK3C3 Q8NEB9 2/20 0.45
PIK3CD O00329 1/20 0.45
PIK3CG P48736 1/20 0.45
NR4A2 P43354 1/20 0.44
CHEK2 O96017 1/20 0.44

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
SCHEMBL732055 0.87 PIK3CA (0.65) PIK3CAAKT1IKBKEMTORPIK3CB
SCHEMBL729598 0.82 PIK3CA (0.57) PIK3CAAKT1MTORAXLNEK1
SCHEMBL729855 0.79 PIK3CA (0.59) PIK3CAAKT1MTORPIK3CBPIK3C3
SCHEMBL729219 0.79 PIK3CA (0.70) PIK3CAAKT1MTORPIK3CBPIK3C3
SCHEMBL732191 0.78 PIK3CA (0.68) PIK3CAAKT1MTORPIK3CBPIK3C3
SCHEMBL29245472 0.77 PIK3CA (0.51) PIK3CAAKT1MTORNEK1PIK3CB
SCHEMBL729822 0.77 PIK3CA (0.77) PIK3CAAKT1MTORPIK3CBPIK3C3
SCHEMBL731348 0.76 PIK3CA (0.59) PIK3CAAKT1MTORPIK3CBPIK3C3
SCHEMBL730136 0.76 PIK3CA (1.00) PIK3CAAKT1MTORPIK3CBPIK3C3
SCHEMBL731537 0.75 PIK3CA (0.69) PIK3CAAKT1MTORPIK3CBPIK3C3

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-8633187-B2 Quinoline derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2014-01-21 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-8404837-B2 Quinoline derivatives as P13 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2013-03-26 US disclosed
US-8138347-B2 Quinoline derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-03-20 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-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
US-20100152112-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2010-06-17 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-2008144463-A1 QUINOLINE DERIVATIVES AS PI3 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

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 95/4885IKBKE 1485/4885
US-20100168100-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS JAK3, PI4KA, PIP4K2A PIK3CA 13/4885AKT1 95/4885IKBKE 1485/4885
US-20140296224-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB PIK3CA 6/4885AKT1 66/4885IKBKE 1113/4885
US-20080300239-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB PIK3CA 6/4885AKT1 66/4885IKBKE 1113/4885

“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.