SCHEMBL113640

SCHEMBL113640

COc1ncc(Nc2ncc(C(C)=O)cc2-c2nc(C)nc(N)n2)cc1F

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.77
PIK3R1 P27986 10/20 0.73
MTOR P42345 5/20 0.72

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
SCHEMBL169404 0.92 PIK3CA (0.77) PIK3CAPIK3R1MTOR
SCHEMBL167706 0.87 PIK3CA (1.00) PIK3CAPIK3R1MTOR
SCHEMBL116103 0.86 PIK3CA (0.71) PIK3CAPIK3R1MTOR
SCHEMBL3116122 0.85 PIK3CA (0.81) PIK3CAPIK3R1MTOR
SCHEMBL169385 0.85 PIK3CA (0.80) PIK3CAPIK3R1MTOR
SCHEMBL113406 0.85 PIK3CA (1.00) PIK3CAPIK3R1MTOR
SCHEMBL165734 0.84 PIK3CA (1.00) PIK3CAPIK3R1MTOR
SCHEMBL166607 0.84 PIK3CA (1.00) PIK3CAPIK3R1MTOR
SCHEMBL165719 0.84 PIK3CA (1.00) PIK3CAPIK3R1MTOR
SCHEMBL166649 0.84 PIK3CA (1.00) PIK3CAPIK3R1MTOR

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.