SCHEMBL3426536

SCHEMBL3426536

CN(C)CCNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3nnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.68
PIK3CA P42336 17/20 0.68
PIK3CG P48736 12/20 0.68
ATR Q13535 4/20 0.63
AURKB Q96GD4 1/20 0.55

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
SCHEMBL3403820 0.90 PIK3CA (0.64) MTORPIK3CAPIK3CGATR
SCHEMBL3429473 0.90 PIK3CA (0.65) MTORPIK3CAPIK3CGATR
SCHEMBL3405478 0.90 PIK3CA (0.77) MTORPIK3CAPIK3CGATRAURKB
SCHEMBL3427695 0.89 PIK3CA (0.65) MTORPIK3CAPIK3CGATR
SCHEMBL3406861 0.88 PIK3CA (0.79) MTORPIK3CAPIK3CGATRAURKB
SCHEMBL4530893 0.88 PIK3CA (0.67) MTORPIK3CAPIK3CGATRAURKB
SCHEMBL3431996 0.88 PIK3CA (0.66) MTORPIK3CAPIK3CGATRAURKB
SCHEMBL3406354 0.86 PIK3CA (0.62) MTORPIK3CAPIK3CGATR
SCHEMBL3426609 0.85 PIK3CA (0.79) MTORPIK3CAPIK3CG
SCHEMBL4540447 0.85 PIK3CA (0.80) MTORPIK3CAPIK3CGATRAURKB

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 4 patents. 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 claimed
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.