SCHEMBL7911581

SCHEMBL7911581

COC(=O)Nc1ccc(-c2nc(Cl)nc3c2cnn3CC(C)(C)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 10/20 0.38
PIK3CA P42336 9/20 0.38
ROCK1 Q13464 2/20 0.38
PLK4 O00444 1/20 0.37
MAT2A P31153 1/20 0.36
AR P10275 1/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
F11 P03951 1/20 0.35
MAPKAPK2 P49137 1/20 0.34
PIK3CG P48736 1/20 0.34
RICTOR Q6R327 1/20 0.34
RPTOR Q8N122 1/20 0.34
MAPKAP1 Q9BPZ7 1/20 0.34
MLST8 Q9BVC4 1/20 0.34

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
SCHEMBL14790899 0.88 MTOR (0.49) MTORPIK3CAROCK1MEN1GAA
SCHEMBL7914668 0.86 MTOR (0.45) MTORPIK3CAROCK1PIK3CG
SCHEMBL14790923 0.82 KDM4E (0.43) MTORROCK1PLK4GAA
SCHEMBL16310133 0.78 KDM4E (0.34) PLK4
SCHEMBL7918185 0.74 MTOR (0.60) MTORPIK3CAPIK3CGRICTORRPTOR
SCHEMBL7919817 0.74 ALOX5AP (0.36) PIK3CAPLK4
SCHEMBL1360482 0.72 MTOR (0.59) MTORPIK3CAPIK3CGRICTORRPTOR
SCHEMBL7904205 0.71 PLK4 (0.41) PIK3CAPLK4GAA
SCHEMBL2599579 0.71 MTOR (0.69) MTORPIK3CAPIK3CG
SCHEMBL7913091 0.69 MTOR (0.58) MTORPIK3CAPIK3CG

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
EP-2382207-B1 PI3K/MTOR KINASE INHIBITORS XCOVERY HOLDING CO LLC (US) 2015-04-29 EP disclosed
US-20110281857-A1 PI3K/MTOR KINASE INHIBITORS XCOVERY HOLDING COMPANY, LLC (US) 2011-11-17 US disclosed
WO-2010056320-A2 PI3K/MTOR KINASE INHIBITORS TYROGENEX, INC. (US) 2010-05-20 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-20110281857-A1 PI3K/MTOR KINASE INHIBITORS MTOR, PIK3CA, PI4KA MTOR 1/4885PIK3CA 2/4885ROCK1 1257/4885

“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.