SCHEMBL1484735

SCHEMBL1484735

Clc1ccc2c(n1)-c1sc(Br)cc1CCO2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.40
PIK3CA P42336 10/20 0.38
MAPT P10636 3/20 0.34
RAB9A P51151 2/20 0.34
DYRK1A Q13627 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NOTUM Q6P988 1/20 0.33
NPC1 O15118 2/20 0.32
PLA2G10 O15496 1/20 0.31
PIK3CB P42338 2/20 0.31
PRKCI P41743 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL989889 0.81 MAP3K14 (0.40) MAP3K14PIK3CAMAPTRAB9ADYRK1A
SCHEMBL1484678 0.80 NOTUM (0.47) MAP3K14PIK3CANOTUMPLA2G10PIK3CB
SCHEMBL1484737 0.80 NOTUM (0.57) MAP3K14PIK3CANOTUMPIK3CBKDM4E
SCHEMBL1516796 0.78 PIK3CA (0.32) MAP3K14PIK3CAPIK3CB
SCHEMBL988898 0.77 PIK3CA (0.53) MAP3K14PIK3CANOTUMPIK3CB
SCHEMBL1484979 0.76 MAP3K14 (0.65) MAP3K14PIK3CAMAPTRAB9ADYRK1A
SCHEMBL989244 0.74 PIK3CA (0.40) MAP3K14PIK3CAMAPTRAB9ADYRK1A
SCHEMBL990975 0.73 PIK3CA (0.55) PIK3CAMAPTRAB9ASMN1; SMN2NOTUM
SCHEMBL1485364 0.72 PIK3CA (0.41) MAP3K14PIK3CAPIK3CB
SCHEMBL12535993 0.71 PIK3CA (0.49) MAP3K14PIK3CAMAPTRAB9ADYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309265-B2 Benzopyran and benzoxepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2016-04-12 US disclosed
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-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-20110130363-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2011-06-02 US disclosed
US-7928248-B2 Benzopyran and benzoxepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2011-04-19 US disclosed
US-20110076291-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 US disclosed
US-20090247567-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-10-01 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 (5 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 62/4885PIK3CA 1/4885MAPT 1132/4885
US-20110076291-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, NR2E1, NR2E3 MAP3K14 1004/4885PIK3CA 11/4885MAPT 4227/4885
US-20150094347-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, NR2E1, NR2E3 MAP3K14 1004/4885PIK3CA 11/4885MAPT 4227/4885
US-20110130363-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD MAP3K14 83/4885PIK3CA 1/4885MAPT 1472/4885
US-20090247567-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD MAP3K14 83/4885PIK3CA 1/4885MAPT 1472/4885

“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.