SCHEMBL3408347

SCHEMBL3408347

O=C(c1cccc(-n2nnc3c(N4CCOCC4)nc(-c4cccc(O)c4)nc32)c1)N1CCC(N2CCCC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.57
MTOR P42345 14/20 0.57
PIK3CG P48736 10/20 0.48
PIK3CD O00329 2/20 0.48
L3MBTL3 Q96JM7 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
MGLL Q99685 1/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL3407818 0.84 PIK3CA (0.52) PIK3CAMTORPIK3CGPIK3CDHDAC1
SCHEMBL3431202 0.84 PIK3CA (0.52) PIK3CAMTORPIK3CGPIK3CDHDAC1
SCHEMBL3432078 0.81 HDAC1 (0.52) PIK3CAMTORPIK3CGPIK3CDHDAC1
SCHEMBL3408990 0.81 PIK3CA (0.50) PIK3CAMTORPIK3CGPIK3CDHDAC1
SCHEMBL8184114 0.79 PIK3CA (0.54) PIK3CAMTORPIK3CGPIK3CDHDAC1
SCHEMBL3429075 0.78 PIK3CA (0.62) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL3424016 0.78 PIK3CA (0.55) PIK3CAMTORPIK3CGPIK3CDHDAC1
SCHEMBL3427481 0.75 PIK3CA (0.52) PIK3CAMTORPIK3CGPIK3CDHDAC1
SCHEMBL3429314 0.74 PIK3CA (0.51) PIK3CAMTORPIK3CGPIK3CDHDAC1
SCHEMBL3431299 0.74 KMO (0.47) PIK3CAMTORPIK3CGPIK3CDHDAC1

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.