SCHEMBL3080066

SCHEMBL3080066

COc1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.52
▸ PIK3CA P42336 5/20 0.48
▸ MTOR P42345 3/20 0.48
▸ PIK3CD O00329 3/20 0.48
▸ PIK3CB P42338 3/20 0.48
▸ PIK3CG P48736 3/20 0.48
▸ PRKDC P78527 1/20 0.48
▸ PIK3C3 Q8NEB9 1/20 0.48
▸ ATR Q13535 1/20 0.47
▸ CYP2C19 P33261 1/20 0.46
▸ CNR2 P34972 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ ERN1 O75460 1/20 0.45
▸ GAK O14976 1/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ GLA P06280 1/20 0.45

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
SCHEMBL3091537 0.86 PIK3CA (0.55) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1443046 0.85 GAK (0.59) CYP2C19HPGDERN1GAKNPC1
SCHEMBL12812381 0.83 ALDH1A1 (0.60) LRRK2PIK3CAMTORPIK3CDPIK3CB
SCHEMBL1442092 0.83 ALDH1A1 (0.49) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1442664 0.82 PIK3CD (0.49) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL27865681 0.82 MTOR (0.49) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL27882034 0.82 PIK3CD (0.49) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1442272 0.82 PIK3CA (0.50) LRRK2PIK3CAMTORPIK3CDPIK3CB
SCHEMBL3085568 0.81 CNR2 (0.54) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL12812428 0.81 CDK6 (0.54) LRRK2PIK3CAMTORPIK3CDPIK3CB

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 12 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
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
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
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 LRRK2 935/4885PIK3CA 8/4885MTOR 92/4885
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG LRRK2 935/4885PIK3CA 8/4885MTOR 92/4885

“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.

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