SCHEMBL3782525

SCHEMBL3782525

CCNC(=O)Nc1ccc(-c2nc3c(c(N4[C@@H]5CC[C@H]4COC5)n2)COC3)cc1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.72
PIK3CA P42336 5/20 0.61
CYP3A4 P08684 2/20 0.59
RPTOR Q8N122 8/20 0.59
MLST8 Q9BVC4 8/20 0.59

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
SCHEMBL7765598 1.00 MTOR (0.72) MTORPIK3CACYP3A4RPTORMLST8
SCHEMBL2099202 0.88 MTOR (0.76) MTORPIK3CACYP3A4RPTORMLST8
SCHEMBL2625423 0.88 MTOR (0.76) MTORPIK3CACYP3A4RPTORMLST8
SCHEMBL2097589 0.85 MTOR (0.73) MTORPIK3CACYP3A4RPTORMLST8
SCHEMBL2625425 0.85 MTOR (0.73) MTORPIK3CACYP3A4RPTORMLST8
SCHEMBL2708113 0.83 MTOR (1.00) MTORPIK3CA
SCHEMBL14852719 0.83 MTOR (0.71) MTORPIK3CARPTORMLST8
SCHEMBL3775327 0.83 MTOR (0.56) MTORPIK3CACYP3A4RPTORMLST8
SCHEMBL3773094 0.82 MTOR (0.76) MTORPIK3CA
SCHEMBL2708896 0.82 MTOR (0.76) MTORPIK3CA

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 2 patents. 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 claimed
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 2/4885CYP3A4 1146/4885

“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.