SCHEMBL114845

SCHEMBL114845

COc1ccc(Nc2ncc(Cl)nc2Br)cn1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.49
PIK3CD O00329 10/20 0.49
PIK3CB P42338 10/20 0.49
PIK3CG P48736 10/20 0.49
ULK1 O75385 1/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
PABPC1 P11940 2/20 0.43
USP2 O75604 2/20 0.43
MTOR P42345 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL114819 0.76 PIK3CA (0.49) PIK3CAMTOR
SCHEMBL29636514 0.75 KMT2A (0.55) PIK3CAPIK3CDPIK3CBPIK3CGMEN1
SCHEMBL14127702 0.75 KMT2A (0.55) PIK3CAPIK3CDPIK3CBPIK3CGMEN1
SCHEMBL655444 0.72 EGFR (0.51) PIK3CAPIK3CDPIK3CBPIK3CGULK1
SCHEMBL114916 0.72 PIK3CA (0.46) PIK3CAPIK3CDPIK3CBPIK3CGULK1
SCHEMBL116773 0.71 PIK3CG (0.55) PIK3CAPIK3CDPIK3CBPIK3CGULK1
SCHEMBL117184 0.71 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL12276570 0.71 EGFR (0.53) PIK3CAPIK3CDPIK3CBPIK3CGULK1
SCHEMBL855547 0.70 MAPT (0.48) PIK3CAPIK3CDPIK3CBPIK3CGULK1
SCHEMBL6345655 0.69 PIK3CA (0.50) PIK3CAPIK3CDPIK3CBPIK3CGULK1

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 8 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
CN-102548984-A Inhibitors of PI3 kinase and / or MTOR AMGEN INC 2012-07-04 CN 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 2/4885PIK3CD 3/4885PIK3CB 13/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD PIK3CA 2/4885PIK3CD 3/4885PIK3CB 13/4885

“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.