SCHEMBL10167530

SCHEMBL10167530

CC(C)(C)OC(=O)N[C@]1(c2ccc(-c3nc4cc(-c5ccccc5)nn4cc3-c3ccccc3)cc2)C[C@@](C)(O)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 13/20 0.43
AKT2 P31751 4/20 0.43
BRD9 Q9H8M2 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
CKS1B P61024 2/20 0.35
SKP1 P63208 2/20 0.35
SKP2 Q13309 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CRHBP P24387 1/20 0.35
HTT P42858 1/20 0.35
CRHR2 Q13324 1/20 0.35
TP53 P04637 1/20 0.34
USP2 O75604 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
SCHEMBL538478 1.00 AKT1 (0.43) AKT1AKT2BRD9CNR1CNR2
SCHEMBL539038 0.90 AKT1 (0.52) AKT1AKT2CNR1CNR2
SCHEMBL868138 0.86 AKT1 (0.41) AKT1AKT2CNR1CNR2CKS1B
SCHEMBL10167527 0.86 AKT1 (0.44) AKT1AKT2CNR1CNR2CKS1B
SCHEMBL10167403 0.86 AKT1 (0.41) AKT1AKT2CNR1CNR2CKS1B
SCHEMBL867901 0.86 AKT1 (0.44) AKT1AKT2CNR1CNR2CKS1B
SCHEMBL867698 0.85 AKT1 (0.47) AKT1AKT2CKS1BSKP1SKP2
SCHEMBL10167524 0.85 AKT1 (0.47) AKT1AKT2CKS1BSKP1SKP2
SCHEMBL538446 0.78 AKT1 (0.53) AKT1AKT2
SCHEMBL10167525 0.78 AKT1 (0.53) AKT1AKT2

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-8691825-B2 Inhibitors of AKT activity MERCK SHARP & DOHME CORP. (US) 2014-04-08 US disclosed
US-8691825-B2 Inhibitors of AKT activity MERCK SHARP & DOHME CORP. (US) 2014-04-08 US disclosed
US-20120077810-A1 Inhibitors Of AKT Activity MERCK SHARP & DOHME LLC 2012-03-29 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-20120077810-A1 Inhibitors Of AKT Activity PIK3CA, PIK3CD, PIK3CB AKT1 11/4885AKT2 7/4885BRD9 997/4885

“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.