SCHEMBL3408583

SCHEMBL3408583

CC(=O)N1CCN(CCn2nnc3c(N4CCOCC4)nc(-c4cccc(O)c4)nc32)CC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.56
MTOR P42345 12/20 0.56
PIK3R1 P27986 2/20 0.54
PIK3CG P48736 10/20 0.50
HDAC1 Q13547 2/20 0.50
PIK3CD O00329 2/20 0.49
PIK3CB P42338 1/20 0.49

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
SCHEMBL3429716 0.92 PIK3CA (0.51) PIK3CAMTORPIK3R1PIK3CGHDAC1
SCHEMBL3431628 0.92 PIK3CA (0.50) PIK3CAMTORPIK3CGHDAC1PIK3CD
SCHEMBL3429406 0.90 PIK3CA (0.57) PIK3CAMTORPIK3R1PIK3CGHDAC1
SCHEMBL3427509 0.89 PIK3CA (0.53) PIK3CAMTORPIK3R1PIK3CGHDAC1
SCHEMBL3427329 0.89 HDAC1 (0.47) PIK3CAMTORPIK3R1PIK3CGHDAC1
SCHEMBL3429623 0.88 PIK3CA (0.51) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL3427306 0.88 PIK3CA (0.53) PIK3CAMTORPIK3R1PIK3CGHDAC1
SCHEMBL3401666 0.88 PIK3CA (0.54) PIK3CAMTORPIK3R1PIK3CGHDAC1
SCHEMBL3428455 0.88 PIK3CA (0.54) PIK3CAMTORPIK3R1PIK3CGHDAC1
SCHEMBL3429501 0.87 PIK3CA (0.50) PIK3CAMTORPIK3R1PIK3CGHDAC1

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 1/4885PIK3R1 24/4885

“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.