SCHEMBL166866

SCHEMBL166866

COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cccnc3Nc3ccc(OC)c(F)c3)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.66
PIK3R1 P27986 1/20 0.49
MTOR P42345 4/20 0.43
PIK3CD O00329 2/20 0.43
PIK3CB P42338 2/20 0.43
PIK3CG P48736 2/20 0.43
GALR2 O43603 1/20 0.42
GALR1 P47211 1/20 0.40
DYRK1A Q13627 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39

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
SCHEMBL168153 0.93 PIK3CA (0.66) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL165929 0.92 PIK3CA (0.64) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL164922 0.87 PIK3CA (0.66) PIK3CAPIK3R1MTOR
SCHEMBL166994 0.84 PIK3CA (0.61) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL165016 0.83 PIK3CA (0.63) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL115800 0.83 PIK3CA (0.65) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL167134 0.83 PIK3CA (0.45) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL113938 0.82 PIK3CA (0.60) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL168050 0.82 PIK3CA (0.62) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL166232 0.82 PIK3CA (0.60) PIK3CAPIK3R1MTORPIK3CDPIK3CB

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
EP-2424859-B1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC (US) 2015-04-08 EP disclosed
US-8772480-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2014-07-08 US disclosed
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR AMGEN INC. (US) 2013-03-28 US disclosed
US-8362241-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2013-01-29 US disclosed
EP-2424859-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR Amgen, Inc (US) 2012-03-07 EP disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 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 (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-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR MTOR, PIK3CA, PIK3CD PIK3CA 2/4885PIK3R1 9/4885MTOR 1/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD PIK3CA 2/4885PIK3R1 9/4885MTOR 1/4885

“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.