SCHEMBL1620153

SCHEMBL1620153

Brc1ccc2c(c1)-c1nc(-c3nnco3)sc1CCO2

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.38
PIK3CB P42338 8/20 0.38
PIK3CG P48736 8/20 0.38
PIK3CD O00329 7/20 0.38
MAP3K14 Q99558 2/20 0.36
PIK3R1 P27986 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAP3K5 Q99683 3/20 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
SCHEMBL1484845 0.91 PIK3CA (0.44) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1042700 0.75 PIK3CA (0.42) PIK3CAPIK3CBPIK3CGPIK3CDKDM4E
SCHEMBL1620028 0.74 NPY5R (0.42) PIK3CDMAP3K14PIK3R1
SCHEMBL1484681 0.73 MAP3K14 (0.51) PIK3CDMAP3K14PIK3R1
SCHEMBL12317096 0.73 MAP3K14 (0.53) PIK3CDMAP3K14PIK3R1
SCHEMBL1041064 0.72 PIK3CA (0.47) PIK3CAPIK3CBPIK3CGPIK3CDMAP3K5
SCHEMBL1484975 0.72 MAP3K14 (0.63) PIK3CAPIK3CDMAP3K14PIK3R1
SCHEMBL15663311 0.72 PIK3CA (0.42) PIK3CAPIK3CBPIK3CGPIK3CDMAP3K14
SCHEMBL1484859 0.70 PIK3CA (0.76) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1484851 0.70 PIK3CA (0.46) PIK3CAPIK3CBPIK3CGPIK3CDLMNA

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 9 patents. 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
US-20140336154-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE HOFFMANN-LA ROCHE INC. 2014-11-13 US disclosed
US-8846762-B2 Benzopyran and benzoxepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2014-09-30 US disclosed
EP-2276767-B1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-05-07 EP disclosed
US-20130123263-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN - LA ROCHE AG (CH) 2013-05-16 US disclosed
US-8399690-B2 4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene compounds GENENTECH, INC. (US) 2013-03-19 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-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 (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-20140336154-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD PIK3CA 1/4885PIK3CB 9/4885PIK3CG 10/4885
US-20110130363-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD PIK3CA 1/4885PIK3CB 9/4885PIK3CG 10/4885
US-20090247567-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD PIK3CA 1/4885PIK3CB 9/4885PIK3CG 10/4885
US-20130123263-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD PIK3CA 1/4885PIK3CB 9/4885PIK3CG 12/4885

“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.