SCHEMBL166510

SCHEMBL166510

CSc1nc(C)nc(-c2cc(CN3CCN(C(=O)OC(C)(C)C)CC3)cnc2F)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.43
MTOR P42345 5/20 0.43
PIK3CD O00329 2/20 0.43
PIK3CB P42338 2/20 0.43
PIK3CG P48736 2/20 0.43
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
IDO2 Q6ZQW0 1/20 0.42
TBK1 Q9UHD2 6/20 0.40
GPR4 P46093 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
SQOR Q9Y6N5 1/20 0.38
NSD2 O96028 1/20 0.38
GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL3102022 0.87 PIK3CA (0.43) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL164185 0.81 PIK3CA (0.70) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL116034 0.80 PIK3CA (0.43) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL166524 0.80 PIK3CA (0.53) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL115588 0.78 IDO1 (0.44) IDO1TDO2IDO2TBK1NSD2
SCHEMBL115817 0.73 IDO1 (0.41) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL13985662 0.70 ADORA2B (0.49) IDO1TDO2IDO2TBK1GPR119
SCHEMBL114519 0.70 VEGFA (0.50) IDO1TDO2IDO2TBK1GPR119
SCHEMBL30520640 0.69 MEN1 (0.50) IDO1TDO2IDO2TBK1GPR4
SCHEMBL3588175 0.69 FAAH (0.62)

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 12 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-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-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
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
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
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 2/4885MTOR 1/4885PIK3CD 3/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD PIK3CA 2/4885MTOR 1/4885PIK3CD 3/4885

“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.