SCHEMBL3403678

SCHEMBL3403678

CC(C)(C)OC(=O)N1CC(n2nnc3c(N4CCOCC4)nc(-c4ccc(NC(=O)Nc5ccncc5)cc4)nc32)C1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTOR P42345 19/20 0.75
PIK3CA P42336 19/20 0.75
PIK3CG P48736 18/20 0.75
ATR Q13535 1/20 0.58
PIK3CD O00329 1/20 0.53

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
SCHEMBL3406861 0.93 PIK3CA (0.79) MTORPIK3CAPIK3CGATR
SCHEMBL3405765 0.93 MTOR (0.64) MTORPIK3CAPIK3CGATR
SCHEMBL4542145 0.92 MTOR (0.76) MTORPIK3CAPIK3CGATRPIK3CD
SCHEMBL3430449 0.90 MTOR (0.77) MTORPIK3CAPIK3CGATRPIK3CD
SCHEMBL3404218 0.89 PIK3CA (0.80) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL4530893 0.86 PIK3CA (0.67) MTORPIK3CAPIK3CGATR
SCHEMBL3431362 0.86 MTOR (0.64) MTORPIK3CAPIK3CGATR
SCHEMBL4540447 0.86 PIK3CA (0.80) MTORPIK3CAPIK3CGATRPIK3CD
SCHEMBL3405478 0.86 PIK3CA (0.77) MTORPIK3CAPIK3CGATR
SCHEMBL3430166 0.86 PIK3CA (1.00) MTORPIK3CAPIK3CGPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252296-A1 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES Wyeth LLC (US) 2010-11-24 EP disclosed
WO-2009091788-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) 2009-07-23 WO disclosed
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.