SCHEMBL4541815

SCHEMBL4541815

CC(C)(C)OC(=O)N1CCC(n2nnc3c(N4CCOCC4)nc(-c4cccc(CO)c4)nc32)CC1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.69
PIK3CG P48736 19/20 0.69
MTOR P42345 19/20 0.69
ATR Q13535 2/20 0.54
AURKB Q96GD4 1/20 0.54
PIK3CD O00329 1/20 0.48

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
SCHEMBL3404156 0.90 PIK3CA (0.58) PIK3CAPIK3CGMTORATRAURKB
SCHEMBL3429865 0.88 PIK3CA (0.79) PIK3CAPIK3CGMTORPIK3CD
SCHEMBL4439320 0.87 PIK3CA (0.80) PIK3CAPIK3CGMTORATRAURKB
SCHEMBL3405769 0.84 PIK3CA (0.74) PIK3CAPIK3CGMTORATRAURKB
SCHEMBL3426535 0.84 PIK3CA (0.77) PIK3CAPIK3CGMTORPIK3CD
SCHEMBL3406776 0.83 PIK3CA (0.51) PIK3CAPIK3CGMTORATRAURKB
SCHEMBL3405132 0.82 PIK3CA (0.62) PIK3CAPIK3CGMTORATRAURKB
SCHEMBL3428904 0.82 PIK3CA (1.00) PIK3CAPIK3CGMTOR
SCHEMBL3429537 0.81 PIK3CA (0.54) PIK3CAPIK3CGMTORATRAURKB
SCHEMBL3405478 0.81 PIK3CA (0.77) PIK3CAPIK3CGMTORATRAURKB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181963-A1 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-16 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 (1 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-20090181963-A1 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3CD PIK3CA 2/4885PIK3CG 4/4885MTOR 1/4885

“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.