SCHEMBL3216083

SCHEMBL3216083

Oc1nc2ccccc2nc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
NQO2 P16083 8/20 0.47
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 4/20 0.41
GAA P10253 3/20 0.41
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
MYC P01106 1/20 0.36
MAX P61244 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL1128076 0.81 MAPT (0.62) MAPTNQO2TDP1ALDH1A1GAA
SCHEMBL29450004 0.81 MAPT (0.62) MAPTNQO2TDP1ALDH1A1GAA
SCHEMBL29948882 0.81 MAPT (0.62) MAPTNQO2TDP1ALDH1A1GAA
SCHEMBL382385 0.81 MAPT (0.62) MAPTNQO2TDP1ALDH1A1GAA
SCHEMBL11038905 0.81 MAPT (0.62) MAPTNQO2TDP1ALDH1A1GAA
Bicarbonate SCHEMBL11185192 0.72 ALDH1A1 (0.58) MAPTTDP1ALDH1A1GAAKMT2A
SCHEMBL874110 0.70 TDP1 (0.67) MAPTNQO2TDP1ALDH1A1GAA
SCHEMBL3085978 0.70 TDP1 (0.67) MAPTNQO2TDP1ALDH1A1GAA
SCHEMBL31193292 0.70 TDP1 (0.54) MAPTNQO2TDP1ALDH1A1GAA
SCHEMBL8001010 0.70 MAPT (0.67) MAPTNQO2TDP1ALDH1A1GAA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-09-16 US disclosed
EP-2173354-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-04-14 EP disclosed
EP-2150255-A1 QUINOXALINE DERIVATIVES AS P13 KINASE INHIBITORS Smithkline Beecham Corporation (US) 2010-02-10 EP disclosed
US-7592342-B2 Quinoxaline derivatives as PI3 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US disclosed
WO-2009021083-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed
US-20080293706-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2008-11-27 US disclosed
WO-2008141065-A1 QUINOXALINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-11-20 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 (2 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-20080293706-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG MAPT 3879/4885NQO2 232/4885TDP1 749/4885
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG MAPT 3879/4885NQO2 232/4885TDP1 749/4885

“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.