SCHEMBL3079692

SCHEMBL3079692

COc1ccccc1N1CCN(c2cnc3ccc(-c4cncc(NS(=O)(=O)c5ccccc5)c4)cc3n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCOLN2 Q8IZK6 1/20 0.50
MCOLN3 Q8TDD5 1/20 0.50
MCOLN1 Q9GZU1 1/20 0.50
PIK3CA P42336 10/20 0.48
HTR6 P50406 1/20 0.47
PIK3CG P48736 6/20 0.47
PIK3CB P42338 6/20 0.47
MTOR P42345 4/20 0.47
PIK3CD O00329 4/20 0.47
NTRK1 P04629 1/20 0.47
KIT P10721 1/20 0.47
PRKDC P78527 1/20 0.45
PIK3C3 Q8NEB9 1/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
TP53 P04637 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
SCHEMBL14022761 0.89 PIK3CA (0.46) PIK3CAPIK3CGPIK3CBMTORPIK3CD
SCHEMBL3083848 0.89 HCRTR1 (0.49) PIK3CAPIK3CGPIK3CBMTORPIK3CD
SCHEMBL3091720 0.87 PIK3CG (0.50) PIK3CAPIK3CGPIK3CBMTORPIK3CD
SCHEMBL3092036 0.87 MAPT (0.54) PIK3CAPIK3CGPIK3CBMTORPIK3CD
SCHEMBL3087828 0.86 ALDH1A1 (0.56) PIK3CAPIK3CGPIK3CBMTORPIK3CD
SCHEMBL3090080 0.85 PIK3CG (0.48) PIK3CAPIK3CGPIK3CBMTORPIK3CD
SCHEMBL3098002 0.85 PIK3CB (0.49) PIK3CAPIK3CGPIK3CBMTORPIK3CD
SCHEMBL3087547 0.84 ALPL (0.47) PIK3CAPIK3CGPIK3CBMTORPIK3CD
SCHEMBL3090881 0.84 CA12 (0.48) PIK3CAHTR6PIK3CGPIK3CBMTOR
SCHEMBL3072279 0.84 PIK3CA (0.61) PIK3CAPIK3CGPIK3CBMTORPIK3CD

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 10 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
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-09-16 US disclosed
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-09-16 US disclosed
US-7592342-B2 Quinoxaline derivatives as PI3 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US disclosed
US-7592342-B2 Quinoxaline derivatives as PI3 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US disclosed
US-7592342-B2 Quinoxaline derivatives as PI3 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US disclosed
US-20080293706-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2008-11-27 US disclosed
US-20080293706-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2008-11-27 US 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 MCOLN2 2698/4885MCOLN3 1238/4885MCOLN1 2006/4885
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG MCOLN2 2698/4885MCOLN3 1238/4885MCOLN1 2006/4885

“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.