SCHEMBL8369017

SCHEMBL8369017

O=Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCC2(CC2)O3)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTOR P42345 9/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
GLA P06280 1/20 0.35
PIK3CA P42336 5/20 0.35
PIK3CG P48736 4/20 0.35
PIK3CD O00329 2/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PIK3R1 P27986 1/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35

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
SCHEMBL2725672 0.86 PIK3CA (0.51) MTORALDH1A1MEN1KMT2ALMNA
SCHEMBL3770156 0.83 MEN1 (0.50) MTORALDH1A1MEN1KMT2ALMNA
SCHEMBL8368146 0.81 MTOR (0.55) MTORPIK3CAPIK3CG
SCHEMBL2709671 0.77 MTOR (0.68) MTORPIK3CAPIK3CG
SCHEMBL2709830 0.77 MTOR (0.53) MTORPIK3CAPIK3CG
SCHEMBL2725688 0.76 MTOR (0.49) MTORPIK3CAPIK3CDPIK3R1
SCHEMBL8367391 0.76 MTOR (0.51) MTORALDH1A1MEN1KMT2APIK3CA
SCHEMBL2724825 0.75 MTOR (0.53) MTORPIK3CA
SCHEMBL2726024 0.74 MTOR (0.48) MTORPIK3CAPIK3CG
SCHEMBL7758467 0.73 MTOR (0.51) MTORPIK3CAPIK3CGPIK3R1

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 1/4885ALDH1A1 4645/4885MEN1 3217/4885

“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.