SCHEMBL731313

SCHEMBL731313

c1cc(-c2ccnc3ccc(-c4ccc5[nH]ccc5c4)cc23)ccn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.67
AKT1 P31749 2/20 0.59
CYP17A1 P05093 1/20 0.52
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
BRAF P15056 1/20 0.48
MAP3K11 Q16584 1/20 0.48
CLK1 P49759 2/20 0.46
DYRK1A Q13627 2/20 0.46
DYRK2 Q92630 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
TLR8 Q9NR97 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
PIK3CD O00329 3/20 0.44
NPC1 O15118 1/20 0.44
CSNK1D P48730 2/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
PRKCI P41743 1/20 0.43
CCNC P24863 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
SCHEMBL729497 0.90 PIK3CA (0.60) PIK3CAAKT1BRAFCLK1DYRK1A
SCHEMBL729992 0.84 PIK3CA (0.72) PIK3CAAKT1DYRK1APIK3CDCSNK1D
SCHEMBL730195 0.83 PIK3CA (0.84) PIK3CAAKT1CLK1DYRK1APIK3CD
SCHEMBL731887 0.82 PIK3CA (0.60) PIK3CAAKT1DYRK1APIK3CDPRKCI
SCHEMBL730188 0.81 PIK3CA (0.87) PIK3CAAKT1CLK1DYRK1ADYRK1B
SCHEMBL729816 0.81 PIK3CA (1.00) PIK3CAAKT1BRAFCLK1DYRK1A
SCHEMBL3956542 0.80 CYP17A1 (0.76) PIK3CACYP17A1CYP11B1CYP11B2BRAF
SCHEMBL4147845 0.80 MAP3K11 (0.48) PIK3CACYP17A1CYP11B1CYP11B2MAP3K11
SCHEMBL730230 0.78 CCNK (0.63) PIK3CAAKT1DYRK1ADYRK1BPRKCI
SCHEMBL4754329 0.77 PIK3CA (0.55) PIK3CAAKT1CLK1DYRK1APIK3CD

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 35 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-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-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
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 95/4885CYP17A1 2533/4885
US-20140100234-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB PIK3CA 6/4885AKT1 66/4885CYP17A1 2488/4885
US-20140296224-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB PIK3CA 6/4885AKT1 66/4885CYP17A1 2488/4885
US-20080300239-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB PIK3CA 6/4885AKT1 66/4885CYP17A1 2488/4885

“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.