SCHEMBL8367391

SCHEMBL8367391

O=Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCOC3)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTOR P42345 18/20 0.51
PIK3CA P42336 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
TLR9 Q9NR96 1/20 0.40

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
SCHEMBL2632788 0.83 MTOR (0.62) MTORPIK3CA
SCHEMBL8367412 0.82 MTOR (0.50) MTORPIK3CA
SCHEMBL2709515 0.82 MEN1 (0.54) MTORPIK3CAMEN1ALDH1A1KMT2A
SCHEMBL2632797 0.77 MTOR (0.53) MTOR
SCHEMBL2632796 0.76 MTOR (0.54) MTOR
SCHEMBL2632795 0.76 MTOR (0.53) MTOR
SCHEMBL8369017 0.76 MTOR (0.38) MTORPIK3CAMEN1ALDH1A1KMT2A
SCHEMBL2632789 0.73 MTOR (0.49) MTORPIK3CA
SCHEMBL2710726 0.71 MTOR (0.68) MTORPIK3CA
SCHEMBL10150263 0.69 LMNA (0.56) MTORPIK3CAMEN1ALDH1A1KMT2A

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-20100331305-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-12-30 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-20100331305-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, PIK3CA, RICTOR MTOR 1/4885PIK3CA 2/4885MEN1 3217/4885

“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.