SCHEMBL3106844

SCHEMBL3106844

COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(-c3cc([C@@H](C)N4CCN(C(=O)O)CC4)cnc3F)nc(C)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.39
HRH1 P35367 5/20 0.36
HRH4 Q9H3N8 5/20 0.36
PIK3CD O00329 2/20 0.34
PIK3R2 O00459 1/20 0.34
PIK3CG P48736 1/20 0.34
MTOR P42345 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CETP P11597 3/20 0.34
PFKFB3 Q16875 3/20 0.33

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
SCHEMBL116637 0.90 TBK1 (0.38) PIK3CAPIK3CDPIK3R2PIK3CGALDH1A1
SCHEMBL3110150 0.88 PIK3CA (0.48) PIK3CAPIK3CDPIK3CGMTOR
SCHEMBL3113004 0.88 PIK3CA (0.39) PIK3CAHRH1HRH4PIK3CDPIK3CG
SCHEMBL3099239 0.87 PIK3CA (0.37) PIK3CAPIK3CDPIK3R2PIK3CGMTOR
SCHEMBL114963 0.87 PIK3CA (0.46) PIK3CAMTORPFKFB3
SCHEMBL3111597 0.87 PIK3CA (0.43) PIK3CAHRH1HRH4PIK3CDPIK3CG
SCHEMBL114787 0.85 FAAH (0.41) PIK3CAHRH1HRH4PIK3CDPIK3CG
SCHEMBL3114997 0.82 PIK3CA (0.34) PIK3CAPIK3CDPIK3R2PIK3CG
SCHEMBL3114966 0.81 PIK3CA (0.37) PIK3CAPIK3CDPIK3CGPFKFB3
SCHEMBL3111200 0.79 PIK3CA (0.36) PIK3CAPIK3CDPIK3CGMTORPFKFB3

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 4 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-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 2/4885HRH1 3323/4885HRH4 3774/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD PIK3CA 2/4885HRH1 3323/4885HRH4 3774/4885

“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.