SCHEMBL167477

SCHEMBL167477

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.43
MTOR P42345 6/20 0.43
PIK3R1 P27986 4/20 0.43
PDE1B Q01064 1/20 0.40
APLNR P35414 2/20 0.35
PDE10A Q9Y233 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
CETP P11597 2/20 0.33
MLYCD O95822 1/20 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
SCHEMBL169240 0.83 PIK3CA (0.44) PIK3CAAPLNRLMNAMAPT
SCHEMBL165862 0.83 PIK3CA (0.69) PIK3CAMTORPIK3R1
SCHEMBL167262 0.83 PIK3CA (0.69) PIK3CAMTORPIK3R1
SCHEMBL166903 0.82 PIK3CA (0.43) PIK3CAAPLNRLMNAMAPT
SCHEMBL176105 0.82 PIK3CA (0.43) PIK3CAMTORPIK3R1APLNRLMNA
SCHEMBL116627 0.81 PIK3CA (0.49) PIK3CAAPLNRLMNAMAPT
SCHEMBL166129 0.80 QPCT (0.41) PIK3CAMTORPIK3R1APLNRLMNA
SCHEMBL168049 0.80 PIK3CA (0.43) PIK3CAAPLNRLMNAMAPT
SCHEMBL3108787 0.79 PIK3CA (0.41) PIK3CALMNAMAPT
SCHEMBL169191 0.79 PIK3CA (0.47) PIK3CAMTORPIK3R1

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 2/4885MTOR 1/4885PIK3R1 9/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD PIK3CA 2/4885MTOR 1/4885PIK3R1 9/4885

“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.