SCHEMBL4535825

SCHEMBL4535825

O=C(O)Cn1nnc2c(N3CCOCC3)nc(Cl)nc21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
PIK3CA P42336 10/20 0.43
MTOR P42345 10/20 0.43
PIK3CG P48736 10/20 0.43
P2RX3 P56373 2/20 0.41
CNR2 P34972 4/20 0.39
HDAC1 Q13547 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CB P42338 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
SCHEMBL8177669 0.83 PIK3CA (0.41) ALDH1A1KDM4EGAAPIK3CAMTOR
SCHEMBL3427707 0.82 PIK3CA (0.50) ALDH1A1KDM4EGAAPIK3CAMTOR
SCHEMBL3429722 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EGAAPIK3CAMTOR
SCHEMBL3429006 0.81 PIK3CA (0.45) ALDH1A1KDM4EGAAPIK3CAMTOR
SCHEMBL3428987 0.79 ALDH1A1 (0.45) ALDH1A1KDM4EGAAPIK3CAMTOR
SCHEMBL3428738 0.79 ALDH1A1 (0.45) ALDH1A1KDM4EGAAPIK3CAMTOR
SCHEMBL3430205 0.79 ALDH1A1 (0.45) ALDH1A1KDM4EGAAPIK3CAMTOR
SCHEMBL3429949 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EGAAPIK3CAMTOR
SCHEMBL3429479 0.76 ALDH1A1 (0.43) ALDH1A1KDM4EGAAPIK3CAMTOR
SCHEMBL3408187 0.76 PIK3CA (0.59) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.