SCHEMBL730133

SCHEMBL730133

Brc1ccc2nccc(-c3cn[nH]c3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 7/20 0.56
AURKA O14965 1/20 0.51
AURKB Q96GD4 1/20 0.51
INCENP Q9NQS7 1/20 0.51
TPX2 Q9ULW0 1/20 0.51
PIK3CA P42336 4/20 0.43
ACVR1 Q04771 2/20 0.42
NCF1 P14598 1/20 0.42
AKT1 P31749 2/20 0.40
ALK Q9UM73 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
FYN P06241 1/20 0.39
PIM1 P11309 2/20 0.39
PIM3 Q86V86 2/20 0.39
CHEK1 O14757 1/20 0.39
FLT3 P36888 1/20 0.39
GAK O14976 1/20 0.38
EPHB6 O15197 1/20 0.38
RIPK2 O43353 1/20 0.38
STK16 O75716 1/20 0.38

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
SCHEMBL2051073 0.80 MAP3K14 (0.57) MAP3K14AURKAAURKBINCENPTPX2
SCHEMBL30147790 0.78 AURKA (0.56) MAP3K14AURKAAURKBINCENPTPX2
SCHEMBL3430462 0.78 AURKA (0.56) MAP3K14AURKAAURKBINCENPTPX2
SCHEMBL3850416 0.77 SMN1; SMN2 (0.49) ACVR1AKT1ALKPIM1PIM3
SCHEMBL30440259 0.76 PIK3CA (0.62) AURKAAURKBPIK3CAACVR1NCF1
SCHEMBL12277881 0.76 PIK3CA (0.62) AURKAAURKBPIK3CAACVR1NCF1
SCHEMBL731933 0.76 PIK3CA (0.62) PIK3CANCF1AKT1SLC22A12PIM1
SCHEMBL732236 0.76 PIK3CA (0.43) PIK3CAACVR1NCF1AKT1SLC22A12
SCHEMBL17833787 0.74 PIK3CA (0.48) AURKAAURKBPIK3CAACVR1NCF1
SCHEMBL27729491 0.74 HTR1A (0.52) PIM1PIM3PIM2

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 17 patents. 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-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 MAP3K14 76/4885AURKA 376/4885AURKB 421/4885
US-20140100234-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB MAP3K14 192/4885AURKA 458/4885AURKB 437/4885
US-20100168100-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS JAK3, PI4KA, PIP4K2A MAP3K14 76/4885AURKA 376/4885AURKB 421/4885
US-20120165321-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB MAP3K14 192/4885AURKA 458/4885AURKB 437/4885
US-20140296224-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB MAP3K14 192/4885AURKA 458/4885AURKB 437/4885
US-20080300239-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB MAP3K14 192/4885AURKA 458/4885AURKB 437/4885

“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.