SCHEMBL3099239

SCHEMBL3099239

COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(-c3cc([C@@H](C)N4CCNCC4)cnc3F)nc(C)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.37
HTR3A P46098 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
TACR1 P25103 1/20 0.33
PFKFB3 Q16875 2/20 0.33
PIK3CD O00329 4/20 0.33
PIK3CG P48736 3/20 0.33
PIK3R2 O00459 1/20 0.33
CHRNA7 P36544 1/20 0.33
MTOR P42345 2/20 0.32
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31
PIK3R1 P27986 2/20 0.31
PIK3CB P42338 2/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31

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
SCHEMBL114963 0.90 PIK3CA (0.46) PIK3CAPFKFB3MTOR
SCHEMBL3111200 0.88 PIK3CA (0.36) PIK3CAPFKFB3PIK3CDPIK3CGCHRNA7
SCHEMBL3110150 0.88 PIK3CA (0.48) PIK3CAPIK3CDPIK3CGMTORPIK3R1
SCHEMBL3106844 0.87 PIK3CA (0.39) PIK3CAPFKFB3PIK3CDPIK3CGPIK3R2
SCHEMBL116637 0.84 TBK1 (0.38) PIK3CAPFKFB3PIK3CDPIK3CGPIK3R2
SCHEMBL3109109 0.80 PIK3CA (0.52) PIK3CAPIK3CDPIK3CGMTORPIK3R1
SCHEMBL3113004 0.79 PIK3CA (0.39) PIK3CAPIK3CDPIK3CGMTORPIK3R1
SCHEMBL3114997 0.77 PIK3CA (0.34) PIK3CAPIK3CDPIK3CGPIK3R2PIK3R1
SCHEMBL3114966 0.76 PIK3CA (0.37) PIK3CAPFKFB3PIK3CDPIK3CGPIK3R1
SCHEMBL169191 0.76 PIK3CA (0.47) PIK3CAPIK3CDPIK3CGMTORPIK3R1

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 5 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
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 2/4885HTR3A 4602/4885OPRM1 4544/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD PIK3CA 2/4885HTR3A 4602/4885OPRM1 4544/4885

“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.