SCHEMBL3777853

SCHEMBL3777853

CC1COCCN1c1nc(-c2ccc(NC(=O)Nc3ccn(C)n3)cc2)nc2c1CCC1(CC1)O2

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 16/20 0.55
CYP3A4 P08684 1/20 0.51
PIK3CA P42336 7/20 0.50
KCNH2 Q12809 1/20 0.49
RICTOR Q6R327 1/20 0.49
RPTOR Q8N122 1/20 0.49
MAPKAP1 Q9BPZ7 1/20 0.49
MLST8 Q9BVC4 1/20 0.49

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
SCHEMBL3775218 1.00 MTOR (0.55) MTORCYP3A4PIK3CAKCNH2RICTOR
SCHEMBL2724864 0.89 MTOR (0.54) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL2724867 0.89 MTOR (0.54) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL3773107 0.88 MTOR (0.71) MTORCYP3A4PIK3CAKCNH2RICTOR
SCHEMBL3773104 0.88 MTOR (0.71) MTORCYP3A4PIK3CAKCNH2RICTOR
SCHEMBL2726024 0.88 MTOR (0.48) MTORPIK3CA
SCHEMBL2724926 0.88 MTOR (0.59) MTORCYP3A4PIK3CAKCNH2RICTOR
SCHEMBL2724923 0.88 MTOR (0.59) MTORCYP3A4PIK3CAKCNH2RICTOR
SCHEMBL2725450 0.86 MTOR (0.71) MTORCYP3A4PIK3CAKCNH2RICTOR
SCHEMBL2725448 0.86 MTOR (0.71) MTORCYP3A4PIK3CAKCNH2RICTOR

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 1/4885CYP3A4 1146/4885PIK3CA 2/4885

“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.