SCHEMBL1350141

SCHEMBL1350141

CC(C)(C)N(C(=O)O)C1(c2ccc(-c3nc4ccc(Cl)nc4cc3-c3ccccc3)cc2)CCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 14/20 0.41
AKT2 P31751 7/20 0.40
AKT3 Q9Y243 2/20 0.35
FECH P22830 1/20 0.35
HPGD P15428 5/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PSMB5 P28074 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MCOLN3 Q8TDD5 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
SCHEMBL1538608 0.86 AKT1 (0.42) AKT1AKT2AKT3FECH
SCHEMBL2029645 0.86 TACR3 (0.34) AKT1AKT2AKT3HPGDALDH1A1
SCHEMBL1352326 0.85 AKT1 (0.42) AKT1AKT2AKT3FECHPSMB5
SCHEMBL1351893 0.85 AKT1 (0.43) AKT1AKT2
SCHEMBL1351858 0.84 AKT1 (0.40) AKT1AKT2AKT3FECH
SCHEMBL4299454 0.82 AKT1 (0.38) AKT1AKT2AKT3FECH
SCHEMBL1350451 0.81 AKT1 (0.41) AKT1AKT2AKT3FECH
SCHEMBL1352098 0.81 AKT1 (0.46) AKT1AKT2AKT3FECHPSMB5
SCHEMBL1352537 0.81 AKT1 (0.41) AKT1AKT2AKT3FECH
SCHEMBL3783328 0.80 AKT1 (0.47) AKT1AKT2AKT3FECHALDH1A1

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
US-20110288090-A1 Inhibitors of AKT Activity MERCK SHARP & DOHME CORP. 2011-11-24 US disclosed
US-20110082135-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2011-04-07 US disclosed
EP-2299825-A1 INHIBITORS OF AKT ACTIVITY Merck Sharp & Dohme Corp. (US) 2011-03-30 EP 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 (2 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-20110082135-A1 INHIBITORS OF AKT ACTIVITY PIK3CA, AKT1S1, AKT1 AKT1 3/4885AKT2 5/4885AKT3 9/4885
US-20110288090-A1 Inhibitors of AKT Activity PIK3CD, PIK3CA, PIK3CG AKT1 9/4885AKT2 5/4885AKT3 10/4885

“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.