SCHEMBL1484692

SCHEMBL1484692

O=C(C(=O)c1ccc(F)cc1F)c1cc2c(s1)-c1nc(Cl)ccc1OCC2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.43
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
NOTUM Q6P988 2/20 0.38
MAP3K14 Q99558 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIK3CB P42338 3/20 0.35
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 2/20 0.33
MAPT P10636 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.33

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
SCHEMBL1484678 0.80 NOTUM (0.47) PIK3CANOTUMMAP3K14KDM4EALDH1A1
SCHEMBL1484737 0.80 NOTUM (0.57) PIK3CANOTUMMAP3K14KDM4EPIK3CB
SCHEMBL1043434 0.73 PIK3CA (0.63) PIK3CAMAP3K14KDM4EALDH1A1L3MBTL1
SCHEMBL12535993 0.73 PIK3CA (0.49) PIK3CAMAP3K14PIK3CBRAB9ANPC1
SCHEMBL1484735 0.71 MAP3K14 (0.40) PIK3CANOTUMMAP3K14KDM4EPIK3CB
SCHEMBL1043572 0.70 PIK3CA (0.49) PIK3CAPIK3C3
SCHEMBL989889 0.70 MAP3K14 (0.40) PIK3CANOTUMMAP3K14PIK3CBRAB9A
SCHEMBL989617 0.70 PIK3CA (0.53) PIK3CAPIK3CB
SCHEMBL989867 0.70 PIK3CA (0.53) PIK3CAPIK3CB
SCHEMBL1078672 0.70 PIK3CA (0.53) PIK3CAPIK3CBPIK3C3

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 28 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-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
EP-2483277-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2012-08-08 EP disclosed
WO-2011036284-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO disclosed
WO-2011036284-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO 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 1/4885CES2 1881/4885CES1 196/4885
US-20110076291-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, NR2E1, NR2E3 PIK3CA 11/4885CES2 969/4885CES1 154/4885
US-20150094347-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, NR2E1, NR2E3 PIK3CA 11/4885CES2 969/4885CES1 154/4885

“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.