SCHEMBL117532

SCHEMBL117532

COc1cncc(Nc2ncccc2-c2nc(C)nc3c2ncn3C2CCCCO2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.51
FLT3 P36888 4/20 0.42
YTHDC1 Q96MU7 1/20 0.40
MTOR P42345 4/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PIK3R1 P27986 2/20 0.37
PIK3CD O00329 2/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CG P48736 2/20 0.36
CHKA P35790 1/20 0.35
CYP2C19 P33261 1/20 0.35
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
PDGFRA P16234 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
SCHEMBL114569 0.88 PIK3CA (0.50) PIK3CAFLT3YTHDC1MTORPIK3CD
SCHEMBL115603 0.81 PIK3CA (0.49) PIK3CAFLT3YTHDC1MTORNPC1
SCHEMBL116967 0.81 PIK3CA (0.53) PIK3CAFLT3MTORPIK3CDPIK3CB
SCHEMBL115702 0.79 PIK3CA (0.55) PIK3CAFLT3YTHDC1MTORNPC1
SCHEMBL114728 0.78 PIK3CA (0.54) PIK3CAFLT3YTHDC1MTORNPC1
SCHEMBL116075 0.78 PIK3CA (0.51) PIK3CAFLT3YTHDC1MTORPIK3CD
SCHEMBL116537 0.77 FLT3 (0.49) PIK3CAFLT3YTHDC1MTORPIK3CD
SCHEMBL164330 0.77 FLT3 (0.43) PIK3CAFLT3YTHDC1MTORPIK3CD
SCHEMBL117130 0.77 PIK3CA (0.52) PIK3CAFLT3YTHDC1MTORNPC1
SCHEMBL115587 0.77 PIK3CG (0.49) PIK3CAFLT3YTHDC1MTORNPC1

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 2/4885FLT3 923/4885YTHDC1 4746/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD PIK3CA 2/4885FLT3 923/4885YTHDC1 4746/4885

“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.