SCHEMBL1620834

SCHEMBL1620834

CC(C)c1n[nH]c(-c2nc3c(s2)CCOc2cc(Br)ccc2-3)n1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.48
PIK3CB P42338 16/20 0.44
PIK3CG P48736 14/20 0.44
PIK3CD O00329 12/20 0.44

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
SCHEMBL15663311 0.92 PIK3CA (0.42) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1039094 0.86 PIK3CA (0.61) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL15663282 0.86 PIK3CA (0.49) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1620374 0.86 PIK3CA (0.45) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL15663271 0.84 PIK3CA (0.62) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL15663274 0.84 PIK3CA (0.49) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL990167 0.84 PIK3CA (0.70) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL15663273 0.83 PIK3CA (0.65) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL15663267 0.82 PIK3CA (0.64) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL989384 0.81 PIK3CA (0.64) PIK3CAPIK3CBPIK3CGPIK3CD

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.