SCHEMBL1040904

SCHEMBL1040904

CC(C)c1ncnn1-c1nc2c(s1)CCOc1ccc(C(=O)OCC(N)=O)cc1-2

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.46
PIK3C3 Q8NEB9 1/20 0.41
PIK3CB P42338 10/20 0.39
NPY5R Q15761 4/20 0.39
PIK3CD O00329 6/20 0.38
PIK3CG P48736 6/20 0.38
MAP3K14 Q99558 2/20 0.38
PIK3R1 P27986 1/20 0.38

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
SCHEMBL1040622 0.94 PIK3CA (0.53) PIK3CAPIK3C3PIK3CBPIK3CDPIK3CG
SCHEMBL1041109 0.89 PIK3CA (0.56) PIK3CAPIK3C3PIK3CBPIK3CDPIK3CG
SCHEMBL4112183 0.86 PIK3CA (0.47) PIK3CAPIK3C3PIK3CBNPY5RPIK3CD
SCHEMBL1484912 0.83 PIK3CA (0.69) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL1619994 0.82 PIK3CA (0.46) PIK3CAPIK3C3PIK3CBNPY5RPIK3CD
SCHEMBL1043239 0.82 PIK3CA (0.66) PIK3CAPIK3C3PIK3CBPIK3CDPIK3CG
SCHEMBL4116437 0.80 PIK3CA (0.55) PIK3CAPIK3C3PIK3CBPIK3CDPIK3CG
SCHEMBL1042898 0.79 PIK3CA (0.47) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL1042374 0.76 PIK3CA (0.57) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL1620373 0.76 PIK3CA (0.54) PIK3CAPIK3C3PIK3CBPIK3CDPIK3CG

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110130363-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2011-06-02 US claimed
EP-2276767-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-01-26 EP claimed
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-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
EP-2276767-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-01-26 EP 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 (2 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 1/4885PIK3C3 27/4885PIK3CB 9/4885
US-20110130363-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD PIK3CA 1/4885PIK3C3 27/4885PIK3CB 9/4885

“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.