SCHEMBL166566

SCHEMBL166566

COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(C(C)N4CCN(C(=O)OC(C)(C)C)CC4)cnc3F)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.41
TBK1 Q9UHD2 4/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC2A1 P11166 1/20 0.38
MTOR P42345 5/20 0.37
PIK3CD O00329 2/20 0.35
PIK3R1 P27986 2/20 0.35
PIK3CB P42338 2/20 0.35
PIK3CG P48736 2/20 0.35
KDM1A O60341 1/20 0.35
GPR4 P46093 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP3A5 P20815 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
TLR9 Q9NR96 1/20 0.35

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
SCHEMBL166567 1.00 PIK3CA (0.41) PIK3CATBK1LMNAMAPTSMN1; SMN2
SCHEMBL3111597 0.90 PIK3CA (0.43) PIK3CAMTORPIK3CDPIK3R1PIK3CB
SCHEMBL168319 0.90 GPR119 (0.37) PIK3CALMNAMAPTSMN1; SMN2SLC2A1
SCHEMBL169384 0.90 GPR119 (0.37) PIK3CALMNAMAPTSMN1; SMN2SLC2A1
SCHEMBL169383 0.90 GPR119 (0.37) PIK3CALMNAMAPTSMN1; SMN2SLC2A1
SCHEMBL168318 0.90 GPR119 (0.37) PIK3CALMNAMAPTSMN1; SMN2SLC2A1
SCHEMBL116637 0.88 TBK1 (0.38) PIK3CATBK1LMNAMAPTSMN1; SMN2
SCHEMBL116034 0.86 PIK3CA (0.43) PIK3CATBK1LMNAMAPTSMN1; SMN2
SCHEMBL166923 0.85 PIK3CA (0.49) PIK3CAMTORPIK3CDPIK3R1PIK3CB
SCHEMBL168152 0.85 PIK3CA (0.49) PIK3CAMTORPIK3CDPIK3R1PIK3CB

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 2/4885TBK1 437/4885LMNA 3431/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD PIK3CA 2/4885TBK1 437/4885LMNA 3431/4885

“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.