SCHEMBL3403277

SCHEMBL3403277

Oc1cccc(-c2nc(N3CCOCC3)c3nnn(CCCCN4CCCC4)c3n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.52
MTOR P42345 12/20 0.52
PIK3CG P48736 11/20 0.52
PIK3CD O00329 3/20 0.52
PIK3R1 P27986 2/20 0.49
HDAC1 Q13547 1/20 0.49
PIK3C2B O00750 3/20 0.48
PIK3CB P42338 3/20 0.48
PIK3C2A O00443 1/20 0.48
CHUK O15111 1/20 0.48
DAPK3 O43293 1/20 0.48
PIK3C2G O75747 1/20 0.48
RAF1 P04049 1/20 0.48
BRAF P15056 1/20 0.48
CSNK2A2 P19784 1/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
FLT3 P36888 1/20 0.48
CLK1 P49759 1/20 0.48
CLK2 P49760 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
SCHEMBL3403340 0.98 PIK3CA (0.52) PIK3CAMTORPIK3CGPIK3CDPIK3R1
SCHEMBL3428455 0.94 PIK3CA (0.54) PIK3CAMTORPIK3CGPIK3CDPIK3R1
SCHEMBL3429731 0.91 PIK3CA (0.62) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL3429644 0.90 PIK3CA (0.53) PIK3CAMTORPIK3CGPIK3CDPIK3R1
SCHEMBL3429623 0.89 PIK3CA (0.51) PIK3CAMTORPIK3CGPIK3CDPIK3R1
SCHEMBL3404324 0.88 PIK3CA (0.51) PIK3CAMTORPIK3CGPIK3CDPIK3R1
SCHEMBL3402208 0.88 PIK3CA (0.62) PIK3CAMTORPIK3CGPIK3CDPIK3R1
SCHEMBL3408159 0.88 PIK3CA (0.62) PIK3CAMTORPIK3CGPIK3CDPIK3R1
SCHEMBL3403665 0.87 PIK3CA (0.58) PIK3CAMTORPIK3CGPIK3CDPIK3R1
SCHEMBL3405344 0.86 PIK3CA (0.52) PIK3CAMTORPIK3CGPIK3CDPIK3R1

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 6 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 claimed
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 claimed
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 PIK3CA 2/4885MTOR 1/4885PIK3CG 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.