SCHEMBL1351464

SCHEMBL1351464

CC(C)(C)N(Cc1ccc(-c2nc3ccnc(CCCO)c3cc2-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LTB4R Q15722 1/20 0.35
DHODH Q02127 1/20 0.34
NR1H2 P55055 1/20 0.34
EGFR P00533 1/20 0.34
MAPK14 Q16539 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TACR1 P25103 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
SCHEMBL1351123 0.91 AKT1 (0.39) AKT1MEN1KMT2AHTTL3MBTL1
SCHEMBL1352087 0.90 AKT1 (0.38) AKT1MEN1KMT2AHTTL3MBTL1
SCHEMBL1350490 0.88 AKT1 (0.41) AKT1MEN1KMT2AHTTL3MBTL1
SCHEMBL1351431 0.87 GPBAR1 (0.42) AKT1ALDH1A1
SCHEMBL1350017 0.86 AKT1 (0.38) AKT1DHODH
SCHEMBL1351444 0.86 AKT1 (0.35) AKT1MEN1KMT2ALTB4RDHODH
SCHEMBL1352166 0.85 ADK (0.42) AKT1MEN1KMT2AHTTL3MBTL1
SCHEMBL1349890 0.85 DHODH (0.41) AKT1MEN1KMT2ALTB4RDHODH
SCHEMBL1352644 0.85 AKT1 (0.39) AKT1MEN1KMT2AHTTL3MBTL1
SCHEMBL1351888 0.84 AKT1 (0.40) AKT1MEN1KMT2AHTTL3MBTL1

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-20110288090-A1 Inhibitors of AKT Activity MERCK SHARP & DOHME CORP. 2011-11-24 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-20110288090-A1 Inhibitors of AKT Activity PIK3CD, PIK3CA, PIK3CG AKT1 9/4885MEN1 1098/4885KMT2A 1363/4885

“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.