SCHEMBL3786573

SCHEMBL3786573

C=CCC1(C)OCc2c(N3C[C@H]4CC[C@@H](C3)O4)nc(Cl)nc21

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.42

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
SCHEMBL7765700 0.81 MTOR (0.38) MTOR
SCHEMBL2711336 0.81 MTOR (0.40) MTOR
SCHEMBL985313 0.80 MTOR (0.40) MTOR
SCHEMBL985488 0.77 MTOR (0.35) MTOR
SCHEMBL2707158 0.76 ALDH1A1 (0.36)
SCHEMBL2710814 0.74 MTOR (0.45) MTOR
SCHEMBL3778375 0.73 MTOR (0.80) MTOR
SCHEMBL2709371 0.70 MTOR (0.42) MTOR
SCHEMBL2708111 0.65 MTOR (0.53) MTOR
SCHEMBL2724830 0.64 KDM4E (0.39) MTOR

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 1/4885

“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.