SCHEMBL167060

SCHEMBL167060

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.38
NR1D1 P20393 1/20 0.36
TSPO P30536 1/20 0.34
MAOB P27338 1/20 0.34
VNN1 O95497 1/20 0.33
SLC2A4 P14672 2/20 0.33
SLC2A8 Q9NY64 1/20 0.33
SLC2A1 P11166 2/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GRM2 Q14416 2/20 0.32
GRM8 O00222 1/20 0.32
GRM6 O15303 1/20 0.32
CACNA1C Q13936 1/20 0.32

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
SCHEMBL3108787 0.88 PIK3CA (0.41) PIK3CAVNN1SLC2A4SLC2A8LMNA
SCHEMBL168144 0.85 PIK3CA (0.38) PIK3CANR1D1TSPOMAOBVNN1
SCHEMBL3110983 0.84 PIK3CA (0.44) PIK3CATSPOSLC2A4SLC2A8SLC2A1
SCHEMBL116034 0.83 PIK3CA (0.43) PIK3CASLC2A1LMNAMAPTALDH1A1
SCHEMBL176105 0.81 PIK3CA (0.43) PIK3CALMNAMAPTALDH1A1MEN1
SCHEMBL169240 0.81 PIK3CA (0.44) PIK3CAMAOBSLC2A4SLC2A8SLC2A1
SCHEMBL166638 0.80 TBK1 (0.39) PIK3CASLC2A1LMNAMAPT
SCHEMBL169221 0.80 TBK1 (0.39) PIK3CASLC2A1LMNAMAPT
SCHEMBL166637 0.80 TBK1 (0.39) PIK3CASLC2A1LMNAMAPT
SCHEMBL168049 0.80 PIK3CA (0.43) PIK3CAMAOBSLC2A4SLC2A8LMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2/4885NR1D1 3475/4885TSPO 2471/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD PIK3CA 2/4885NR1D1 3475/4885TSPO 2471/4885

“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.