SCHEMBL7765707

SCHEMBL7765707

CC1(C)OCc2c(N3C4CCC3COC4)nc(-c3cnc(N)nc3)nc21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 10/20 0.49
PIK3CA P42336 7/20 0.48
MTOR P42345 8/20 0.46
RPTOR Q8N122 7/20 0.46
MLST8 Q9BVC4 7/20 0.46
RICTOR Q6R327 6/20 0.46
MAPKAP1 Q9BPZ7 6/20 0.46
PIK3R1 P27986 3/20 0.46
PIK3CD O00329 2/20 0.44
PIK3CB P42338 2/20 0.44
PIK3CG P48736 2/20 0.44
PIK3C3 Q8NEB9 1/20 0.44
ATR Q13535 1/20 0.41

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
SCHEMBL3782581 1.00 MAP3K12 (0.49) MAP3K12PIK3CAMTORRPTORMLST8
SCHEMBL7763500 0.79 PIK3CA (0.58) MAP3K12PIK3CAMTORRPTORMLST8
SCHEMBL7762787 0.79 MTOR (0.53) MAP3K12PIK3CAMTORRPTORMLST8
SCHEMBL3772835 0.79 MTOR (0.53) MAP3K12PIK3CAMTORRPTORMLST8
SCHEMBL2708158 0.78 MTOR (0.67) PIK3CAMTORRPTORMLST8RICTOR
SCHEMBL2708152 0.78 MTOR (0.67) PIK3CAMTORRPTORMLST8RICTOR
SCHEMBL3787795 0.78 MAP3K12 (0.48) MAP3K12
SCHEMBL7765699 0.78 MAP3K12 (0.48) MAP3K12
SCHEMBL7762788 0.76 MTOR (0.32) MTOR
SCHEMBL7762925 0.73 PIK3CA (0.48) MAP3K12PIK3CAMTORRPTORMLST8

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
US-20100331305-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-12-30 US disclosed
US-20100331305-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-12-30 US disclosed
WO-2010151601-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-12-29 WO 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 MAP3K12 40/4885PIK3CA 2/4885MTOR 1/4885

“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.