SCHEMBL3429006

SCHEMBL3429006

CC(=O)NCCn1nnc2c(N3CCOCC3)nc(Cl)nc21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.45
MTOR P42345 14/20 0.45
PIK3CG P48736 14/20 0.45
HDAC1 Q13547 1/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CB P42338 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
CNR2 P34972 3/20 0.39
CNR1 P21554 1/20 0.39

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
SCHEMBL4535825 0.81 ALDH1A1 (0.45) PIK3CAMTORPIK3CGHDAC1PIK3CD
SCHEMBL3427707 0.80 PIK3CA (0.50) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL3431087 0.79 PIK3CA (0.51) PIK3CAMTORPIK3CGHDAC1PIK3CD
SCHEMBL3405512 0.78 PIK3CA (0.58) PIK3CAMTORPIK3CGHDAC1PIK3CD
SCHEMBL3428987 0.77 ALDH1A1 (0.45) PIK3CAMTORPIK3CGHDAC1ALDH1A1
SCHEMBL8177669 0.77 PIK3CA (0.41) PIK3CAMTORPIK3CGHDAC1PIK3CD
SCHEMBL3408168 0.76 PIK3CA (0.44) PIK3CAMTORPIK3CGHDAC1ALDH1A1
SCHEMBL3408187 0.76 PIK3CA (0.59) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL3429722 0.75 ALDH1A1 (0.43) PIK3CAMTORPIK3CGHDAC1PIK3CD
SCHEMBL3429949 0.75 ALDH1A1 (0.44) PIK3CAMTORPIK3CGHDAC1ALDH1A1

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 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.