SCHEMBL3787795

SCHEMBL3787795

CC1(C)OCc2c(N3C[C@H]4C[C@@H]3CO4)nc(-c3cnc(N)nc3)nc21

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 20/20 0.48

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
SCHEMBL7765699 1.00 MAP3K12 (0.48) MAP3K12
SCHEMBL7758994 0.78 MAP3K12 (0.33) MAP3K12
SCHEMBL3782581 0.78 MAP3K12 (0.49) MAP3K12
SCHEMBL7765707 0.78 MAP3K12 (0.49) MAP3K12
SCHEMBL7762787 0.78 MTOR (0.53) MAP3K12
SCHEMBL3772835 0.78 MTOR (0.53) MAP3K12
SCHEMBL2708152 0.77 MTOR (0.67)
SCHEMBL2708158 0.77 MTOR (0.67)
SCHEMBL10239952 0.75 MAP3K12 (0.78) MAP3K12
SCHEMBL7763500 0.74 PIK3CA (0.58) MAP3K12

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 claimed

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 40/4885

“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.