SCHEMBL1352017

SCHEMBL1352017

CC(C)(C)N(Cc1ccc(-c2nc3ccnc(C(N)=NO)c3cc2-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
AKT1 P31749 5/20 0.36
AKT2 P31751 3/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ACHE P22303 2/20 0.33
PDK1 Q15118 1/20 0.33
ADK P55263 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL1352644 0.88 AKT1 (0.39) MEN1KMT2AAKT1AKT2LMNA
SCHEMBL1350490 0.86 AKT1 (0.41) MEN1KMT2AAKT1LMNAALDH1A1
SCHEMBL1352166 0.85 ADK (0.42) MEN1KMT2AAKT1AKT2ADK
SCHEMBL1352087 0.83 AKT1 (0.38) MEN1KMT2AAKT1AKT2LMNA
SCHEMBL1989986 0.83 LMNA (0.41) KMT2ALMNASMN1; SMN2HTT
SCHEMBL1351123 0.83 AKT1 (0.39) MEN1KMT2AAKT1AKT2LMNA
SCHEMBL1349890 0.83 DHODH (0.41) MEN1KMT2AAKT1AKT2
SCHEMBL1352522 0.83 SGK1 (0.38) AKT1AKT2ADK
SCHEMBL1352519 0.83 SGK1 (0.38) AKT1AKT2ADK
Hydrochloric Acid SCHEMBL1351629 0.82 SGK1 (0.37) AKT1AKT2ADK

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 MEN1 1098/4885KMT2A 1363/4885AKT1 9/4885

“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.