SCHEMBL114564

SCHEMBL114564

COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(OCc4ccccc4)cnc3F)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.42
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
SLC2A1 P11166 2/20 0.40
MAPK1 P28482 1/20 0.40
NOD2 Q9HC29 1/20 0.40
PDE2A O00408 1/20 0.38
LMNA P02545 1/20 0.38
MAOB P27338 1/20 0.38
APP P05067 2/20 0.37
TSHR P16473 1/20 0.37
TSPO P30536 2/20 0.37
QPCT Q16769 1/20 0.37
BCHE P06276 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NOS1 P29475 1/20 0.36

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
SCHEMBL169240 0.86 PIK3CA (0.44) PIK3CAMAPTSLC2A1PDE2ALMNA
SCHEMBL166903 0.84 PIK3CA (0.43) PIK3CAMAPTPDE2ALMNATSHR
SCHEMBL116627 0.84 PIK3CA (0.49) PIK3CAMAPTPDE2ALMNATSHR
SCHEMBL176105 0.82 PIK3CA (0.43) PIK3CAMAPTPDE2ALMNATSHR
SCHEMBL168049 0.82 PIK3CA (0.43) PIK3CAMAPTPDE2ALMNAMAOB
SCHEMBL3108787 0.82 PIK3CA (0.41) PIK3CAMAPTLMNATSHRKMT2A
SCHEMBL114555 0.81 LMNA (0.49) PIK3CAMAPTLMNATSHRQPCT
SCHEMBL3110983 0.79 PIK3CA (0.44) PIK3CAMAPTSLC2A1LMNATSPO
SCHEMBL167477 0.78 PIK3CA (0.43) PIK3CAMAPTLMNA
SCHEMBL165857 0.78 PIK3CA (0.40) PIK3CAMAPTPDE2ALMNATSHR

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 2/4885PDGFRB 895/4885PDGFRA 941/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD PIK3CA 2/4885PDGFRB 895/4885PDGFRA 941/4885

“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.