SCHEMBL1484969

SCHEMBL1484969

Cc1ccncc1-c1ccc2c(c1)-c1nc(C(=O)N(CCO)C(C)C)sc1CCO2

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 8/20 0.39
PIK3CD O00329 2/20 0.39
PIK3R1 P27986 1/20 0.39
NPY5R Q15761 4/20 0.37
PIK3CA P42336 4/20 0.37
PIK3CB P42338 4/20 0.37
PIK3CG P48736 1/20 0.37
ABL1 P00519 4/20 0.35
KIT P10721 1/20 0.34
PDGFRA P16234 1/20 0.34

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
SCHEMBL1485111 0.86 MAP3K14 (0.39) MAP3K14PIK3CDPIK3R1NPY5RPIK3CA
SCHEMBL1485028 0.85 MAP3K14 (0.40) MAP3K14PIK3CDPIK3R1NPY5RPIK3CA
SCHEMBL1484961 0.84 MAP3K14 (0.42) MAP3K14PIK3CDPIK3R1NPY5RPIK3CA
SCHEMBL1484998 0.83 PIK3CA (0.46) MAP3K14PIK3CDPIK3R1NPY5RPIK3CA
SCHEMBL11896954 0.83 MAP3K14 (0.46) MAP3K14PIK3CDPIK3R1NPY5RABL1
SCHEMBL1484707 0.82 MAP3K14 (0.44) MAP3K14PIK3CDPIK3R1NPY5RPIK3CA
SCHEMBL1484996 0.82 MAP3K14 (0.38) MAP3K14PIK3CDPIK3R1NPY5RPIK3CA
SCHEMBL1484895 0.82 PIK3CA (0.54) MAP3K14PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL1484918 0.82 MAP3K14 (0.39) MAP3K14PIK3CDPIK3R1NPY5RPIK3CA
SCHEMBL1484488 0.81 PIK3CA (0.46) MAP3K14PIK3CDPIK3R1NPY5RPIK3CA

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
US-20110076291-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 US claimed
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-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
EP-2784078-A1 Benzoxepin pi3k inhibitor compounds and methods of use F. Hoffmann-La Roche AG (CH) 2014-10-01 EP disclosed
US-20140135308-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-05-15 US disclosed
US-20140135308-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-05-15 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-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 (4 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 MAP3K14 62/4885PIK3CD 2/4885PIK3R1 4/4885
US-20110076291-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, NR2E1, NR2E3 MAP3K14 1004/4885PIK3CD 70/4885PIK3R1 24/4885
US-20150094347-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, NR2E1, NR2E3 MAP3K14 1004/4885PIK3CD 70/4885PIK3R1 24/4885
US-20140135308-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, NR2E1, NR2E3 MAP3K14 1004/4885PIK3CD 70/4885PIK3R1 24/4885

“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.