SCHEMBL14790899

SCHEMBL14790899

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 17/20 0.49
PIK3CA P42336 16/20 0.49
ROCK1 Q13464 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
PIK3CD O00329 1/20 0.36

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
SCHEMBL7914668 0.90 MTOR (0.45) MTORPIK3CAROCK1
SCHEMBL7911581 0.88 MTOR (0.38) MTORPIK3CAROCK1MEN1GAA
SCHEMBL14790923 0.82 KDM4E (0.43) MTORROCK1ALDH1A1GAA
SCHEMBL2599579 0.82 MTOR (0.69) MTORPIK3CA
SCHEMBL14790900 0.79 MTOR (0.54) MTORPIK3CAALDH1A1
SCHEMBL14776693 0.78 MTOR (0.55) MTORPIK3CAPIK3CD
SCHEMBL14776535 0.78 MTOR (0.55) MTORPIK3CAPIK3CD
SCHEMBL14790943 0.77 MTOR (0.62) MTORPIK3CAPIK3CD
SCHEMBL16310133 0.77 KDM4E (0.34) ALDH1A1
SCHEMBL14790931 0.75 MTOR (0.61) MTORPIK3CAPIK3CD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912178-B2 mTOR selective kinase inhibitors Xcovery Holdings Company, LLC (US) 2014-12-16 US disclosed
US-8912178-B2 mTOR selective kinase inhibitors Xcovery Holdings Company, LLC (US) 2014-12-16 US disclosed
US-20130072481-A1 mTOR SELECTIVE KINASE INHIBITORS XCOVERY HOLDING COMPANY, LLC (US) 2013-03-21 US disclosed
US-20130072481-A1 mTOR SELECTIVE KINASE INHIBITORS XCOVERY HOLDING COMPANY, LLC (US) 2013-03-21 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-20130072481-A1 mTOR SELECTIVE KINASE INHIBITORS MTOR, ULK1, ULK2 MTOR 1/4885PIK3CA 69/4885ROCK1 1917/4885

“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.