SCHEMBL3428283

SCHEMBL3428283

CCOC(CCCn1nnc2c(N3CCOCC3)nc(Cl)nc21)OCC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
PIK3CA P42336 9/20 0.38
MTOR P42345 9/20 0.38
PIK3CG P48736 9/20 0.38
CNR2 P34972 4/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
CYP3A4 P08684 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL3427707 0.81 PIK3CA (0.50) ALDH1A1KDM4EGAAPIK3CAMTOR
SCHEMBL3427188 0.80 PIK3CA (0.48) PIK3CAMTORPIK3CGPIK3CDHDAC1
SCHEMBL3429479 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EGAAPIK3CAMTOR
SCHEMBL3429949 0.78 ALDH1A1 (0.44) ALDH1A1KDM4EGAAPIK3CAMTOR
SCHEMBL3428987 0.75 ALDH1A1 (0.45) ALDH1A1KDM4EGAAPIK3CAMTOR
SCHEMBL3408168 0.74 PIK3CA (0.44) ALDH1A1KDM4EGAAPIK3CAMTOR
SCHEMBL3428738 0.73 ALDH1A1 (0.45) ALDH1A1KDM4EGAAPIK3CAMTOR
SCHEMBL3430205 0.73 ALDH1A1 (0.45) ALDH1A1KDM4EGAAPIK3CAMTOR
SCHEMBL3429006 0.72 PIK3CA (0.45) ALDH1A1KDM4EGAAPIK3CAMTOR
SCHEMBL4535825 0.72 ALDH1A1 (0.45) ALDH1A1KDM4EGAAPIK3CAMTOR

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 ALDH1A1 3181/4885KDM4E 1194/4885GAA 2628/4885

“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.