SCHEMBL3430429

SCHEMBL3430429

CCn1nnc2c(N3CCOCC3)nc(-c3ccc(NC(=O)OC(C)(C)C)c(OC)c3)nc21

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTOR P42345 18/20 0.60
PIK3CA P42336 17/20 0.60
PIK3CG P48736 17/20 0.60
PIK3CD O00329 1/20 0.53
PIK3CB P42338 1/20 0.53
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HIF1A Q16665 1/20 0.43
ABL1 P00519 1/20 0.43
SRC P12931 1/20 0.43

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
SCHEMBL3399241 0.80 PIK3CA (0.59) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL3433174 0.78 MTOR (0.61) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL3426942 0.75 PIK3CA (1.00) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL3430374 0.73 PIK3CA (1.00) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL3405407 0.73 PIK3CA (0.85) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL3402035 0.73 PIK3CA (0.85) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL3758135 0.73 NOS1 (0.59) MTORPIK3CAPIK3CGPIK3CDALDH1A1
SCHEMBL3428636 0.73 PIK3CA (0.49) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL8184133 0.73 PIK3CA (0.59) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL3428495 0.72 PIK3CA (0.79) MTORPIK3CAPIK3CGPIK3CDPIK3CB

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.