SCHEMBL4542145

SCHEMBL4542145

CC(C)(C)OC(=O)N1CC(n2nnc3c(N4CCOCC4)nc(-c4ccc(NC(=O)Nc5cccnc5)cc4)nc32)C1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.76
PIK3CA P42336 13/20 0.76
PIK3CG P48736 11/20 0.76
PIK3CD O00329 1/20 0.57
ATR Q13535 1/20 0.56

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
SCHEMBL4540447 0.94 PIK3CA (0.80) MTORPIK3CAPIK3CGPIK3CDATR
SCHEMBL3405765 0.93 MTOR (0.64) MTORPIK3CAPIK3CGATR
SCHEMBL3403678 0.92 MTOR (0.75) MTORPIK3CAPIK3CGPIK3CDATR
SCHEMBL3430449 0.87 MTOR (0.77) MTORPIK3CAPIK3CGPIK3CDATR
SCHEMBL3428714 0.87 MTOR (1.00) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL3406861 0.86 PIK3CA (0.79) MTORPIK3CAPIK3CGATR
SCHEMBL3428954 0.85 MTOR (0.90) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL3403821 0.85 MTOR (0.90) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL3407877 0.84 MTOR (0.88) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL4530893 0.83 PIK3CA (0.67) MTORPIK3CAPIK3CGATR

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 MTOR 1/4885PIK3CA 2/4885PIK3CG 4/4885

“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.