SCHEMBL164880

SCHEMBL164880

COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(Cc4ccc(S(C)(=O)=O)cc4)cnc3F)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.49
PIK3CD O00329 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
MTOR P42345 3/20 0.41
PTGS2 P35354 4/20 0.39
PTGS1 P23219 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
APLNR P35414 2/20 0.34
BMP1 P13497 1/20 0.34

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
SCHEMBL115685 0.93 PIK3CA (0.44) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL166143 0.86 PIK3CA (0.48) PIK3CAPIK3CDPIK3CBPIK3CGPTGS2
SCHEMBL115532 0.85 QPCT (0.43) PIK3CAPIK3CDPIK3CBPIK3CGLMNA
SCHEMBL167385 0.84 PIK3CA (0.75) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL168134 0.82 PIK3CA (0.74) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL168049 0.82 PIK3CA (0.43) PIK3CAMEN1KMT2ALMNASMN1; SMN2
SCHEMBL3108787 0.81 PIK3CA (0.41) PIK3CAPTGS1MEN1KMT2ALMNA
SCHEMBL167498 0.80 PIK3CA (0.51) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL169240 0.80 PIK3CA (0.44) PIK3CAMEN1KMT2ALMNAAPLNR
SCHEMBL116627 0.80 PIK3CA (0.49) PIK3CAPIK3CDPIK3CBPIK3CGMEN1

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 2/4885PIK3CD 3/4885PIK3CB 13/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD PIK3CA 2/4885PIK3CD 3/4885PIK3CB 13/4885

“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.