SCHEMBL731536

SCHEMBL731536

c1cc(-c2ccnc3ccc(-c4ccc(N5CCOCC5)nc4)cc23)ccn1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.56
CNR2 P34972 6/20 0.53
AKT1 P31749 2/20 0.50
MAPK10 P53779 1/20 0.48
PDE10A Q9Y233 1/20 0.47
ACVR1 Q04771 2/20 0.47
MAP4K4 O95819 1/20 0.46
BMPR1B O00238 1/20 0.45
PDGFRB P09619 1/20 0.45
KIT P10721 1/20 0.45
PDGFRA P16234 1/20 0.45
BMPR1A P36894 1/20 0.45
ACVR1B P36896 1/20 0.45
TGFBR1 P36897 1/20 0.45
ACVRL1 P37023 1/20 0.45
ERN1 O75460 1/20 0.45
TDO2 P48775 1/20 0.45
LRRK2 Q5S007 1/20 0.44
MAPT P10636 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
SCHEMBL732171 0.86 PIK3CA (0.56) PIK3CAAKT1ACVR1MAP4K4ACVR1B
SCHEMBL730042 0.86 PIK3CA (0.56) PIK3CAAKT1ACVR1BMPR1BBMPR1A
SCHEMBL729488 0.86 PIK3CA (0.50) PIK3CAAKT1MAPK10ACVR1BMPR1B
SCHEMBL731931 0.82 CYP3A4 (0.65) PIK3CA
SCHEMBL7294070 0.81 CNR2 (0.62) CNR2ACVR1MAP4K4MAPT
SCHEMBL731997 0.81 PIK3CA (0.57) PIK3CAAKT1
SCHEMBL730090 0.78 CYP1A2 (0.54) PIK3CAAKT1ACVR1MAP4K4MAPT
SCHEMBL730195 0.77 PIK3CA (0.84) PIK3CAAKT1MAPK10ACVR1MAP4K4
SCHEMBL730188 0.75 PIK3CA (0.87) PIK3CAAKT1MAPK10ACVR1MAP4K4
SCHEMBL6740597 0.75 MET (0.60) CNR2ERN1

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-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
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

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 13/4885CNR2 2234/4885AKT1 95/4885
US-20140100234-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB PIK3CA 6/4885CNR2 1721/4885AKT1 66/4885
US-20140296224-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB PIK3CA 6/4885CNR2 1721/4885AKT1 66/4885
US-20080300239-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB PIK3CA 6/4885CNR2 1721/4885AKT1 66/4885

“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.