SCHEMBL166903

SCHEMBL166903

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.43
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 3/20 0.37
PDE2A O00408 2/20 0.37
F2RL3 Q96RI0 1/20 0.36
QPCT Q16769 2/20 0.34
APLNR P35414 2/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
TSHR P16473 2/20 0.32
MEN1 O00255 1/20 0.32
CHRM2 P08172 1/20 0.32
CYP3A4 P08684 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
DRD1 P21728 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 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
SCHEMBL169240 0.85 PIK3CA (0.44) PIK3CAMAPTLMNAPDE2AQPCT
SCHEMBL116627 0.85 PIK3CA (0.49) PIK3CAMAPTLMNAPDE2AQPCT
SCHEMBL114564 0.84 PIK3CA (0.42) PIK3CAMAPTLMNAPDE2AQPCT
SCHEMBL168049 0.84 PIK3CA (0.43) PIK3CAMAPTLMNAPDE2AQPCT
SCHEMBL176105 0.84 PIK3CA (0.43) PIK3CAMAPTLMNAPDE2AQPCT
SCHEMBL167477 0.82 PIK3CA (0.43) PIK3CAMAPTLMNAAPLNR
SCHEMBL3108787 0.81 PIK3CA (0.41) PIK3CAMAPTLMNAALDH1A1TSHR
SCHEMBL168804 0.81 PIK3CA (0.68) PIK3CA
SCHEMBL114555 0.81 LMNA (0.49) PIK3CAMAPTLMNAQPCTALDH1A1
SCHEMBL165857 0.80 PIK3CA (0.40) PIK3CAMAPTLMNAPDE2AQPCT

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 2/4885MAPT 1510/4885HTT 1270/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD PIK3CA 2/4885MAPT 1510/4885HTT 1270/4885

“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.