SCHEMBL1485261

SCHEMBL1485261

CC(C)N(NC(=O)OC(C)(C)C)C(=O)c1nc2c(s1)CCOc1cc(Br)ccc1-2

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.39
MAP3K14 Q99558 5/20 0.39
PIK3CD O00329 4/20 0.39
PIK3R1 P27986 1/20 0.39
PIK3CB P42338 11/20 0.38
PIK3CG P48736 3/20 0.38
PPARA Q07869 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL14553290 0.87 PIK3CA (0.45) PIK3CAMAP3K14PIK3CDPIK3R1PIK3CB
SCHEMBL12341857 0.86 PIK3CA (0.42) PIK3CAMAP3K14PIK3CDPIK3R1PIK3CB
SCHEMBL1485110 0.86 PIK3CA (0.39) PIK3CAMAP3K14PIK3CDPIK3R1PIK3CB
SCHEMBL1484772 0.82 PIK3CA (0.44) PIK3CAMAP3K14PIK3CDPIK3R1PIK3CB
SCHEMBL12317218 0.81 PIK3CA (0.45) PIK3CAMAP3K14PIK3CDPIK3R1PIK3CB
Hydrochloric Acid SCHEMBL1485234 0.80 PIK3CA (0.45) PIK3CAMAP3K14PIK3CDPIK3R1PIK3CB
SCHEMBL1484787 0.79 MAP3K14 (0.39) PIK3CAMAP3K14PIK3CDPIK3R1PIK3CB
SCHEMBL1485010 0.78 PIK3CA (0.42) PIK3CAMAP3K14PIK3CDPIK3R1PIK3CB
SCHEMBL990001 0.75 MAP3K14 (0.44) PIK3CAMAP3K14PIK3CDPIK3R1PIK3CB
SCHEMBL12340621 0.75 MAP3K14 (0.39) PIK3CAMAP3K14PIK3CDPIK3R1PIK3CB

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483277-B1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2015-12-02 EP disclosed
US-9175009-B2 Benzoxepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-11-03 US disclosed
US-9175009-B2 Benzoxepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-11-03 US disclosed
US-9175009-B2 Benzoxepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-11-03 US disclosed
US-20150094347-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2015-04-02 US disclosed
US-20150094347-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2015-04-02 US disclosed
US-20150094347-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2015-04-02 US disclosed
US-8952043-B2 Benzoxepin PI3K inhibitor compounds and methods of use GENETECH, INC. (US) 2015-02-10 US disclosed
US-8952043-B2 Benzoxepin PI3K inhibitor compounds and methods of use GENETECH, INC. (US) 2015-02-10 US disclosed
US-8952043-B2 Benzoxepin PI3K inhibitor compounds and methods of use GENETECH, INC. (US) 2015-02-10 US disclosed
US-8673952-B2 Benzoxepin PI3K inhibitor compounds and methods of use F. HOFFMAN-LA ROCHE AG (CH) 2014-03-18 US disclosed
US-8673952-B2 Benzoxepin PI3K inhibitor compounds and methods of use F. HOFFMAN-LA ROCHE AG (CH) 2014-03-18 US disclosed
US-8673952-B2 Benzoxepin PI3K inhibitor compounds and methods of use F. HOFFMAN-LA ROCHE AG (CH) 2014-03-18 US disclosed
US-20130012488-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BLAQUIERE NICOLE (US) 2013-01-10 US disclosed
US-20130012488-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BLAQUIERE NICOLE (US) 2013-01-10 US disclosed
US-20130012488-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BLAQUIERE NICOLE (US) 2013-01-10 US disclosed
US-8263633-B2 Benzoxepin PI3K inhibitor compounds and methods of use F. HOFFMAN-LA ROCHE AG (CH) 2012-09-11 US disclosed
US-8263633-B2 Benzoxepin PI3K inhibitor compounds and methods of use F. HOFFMAN-LA ROCHE AG (CH) 2012-09-11 US disclosed
US-8263633-B2 Benzoxepin PI3K inhibitor compounds and methods of use F. HOFFMAN-LA ROCHE AG (CH) 2012-09-11 US disclosed
US-20110076291-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 US 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 (3 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-20130012488-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3R2 PIK3CA 1/4885MAP3K14 62/4885PIK3CD 2/4885
US-20110076291-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, NR2E1, NR2E3 PIK3CA 11/4885MAP3K14 1004/4885PIK3CD 70/4885
US-20150094347-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, NR2E1, NR2E3 PIK3CA 11/4885MAP3K14 1004/4885PIK3CD 70/4885

“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.