SCHEMBL16263185

SCHEMBL16263185

CC(C)C(=O)[C@H](CNC1CCCC(C)(C)C1)c1ccc(Cl)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.38
AKT2 P31751 2/20 0.38
AKT3 Q9Y243 2/20 0.38
SCN9A Q15858 1/20 0.36
PTPN2 P17706 1/20 0.35
MAPK1 P28482 3/20 0.35
RPS6KA1 Q15418 3/20 0.35
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MAPT P10636 1/20 0.34
ATF4 P18848 3/20 0.33
GPR139 Q6DWJ6 1/20 0.33

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
SCHEMBL17803815 0.90 AKT1 (0.36) AKT1AKT2AKT3SCN9APTPN2
SCHEMBL679652 0.88 AKT1 (0.43) AKT1AKT2AKT3SLC6A3MAPT
SCHEMBL12168931 0.86 GAA (0.38) AKT1AKT2AKT3
SCHEMBL679738 0.81 POLB (0.38)
SCHEMBL681441 0.81 AKT1 (0.53) AKT1AKT2AKT3MAPK1RPS6KA1
SCHEMBL681699 0.77 AKT1 (0.41) AKT1AKT2AKT3SLC6A4SLC6A3
SCHEMBL12188592 0.77 AKT1 (0.44) AKT1AKT2AKT3MAPK1RPS6KA1
SCHEMBL680761 0.76 EPHX1 (0.40) AKT1AKT2AKT3SLC6A4SLC6A3
SCHEMBL681282 0.76 AKT1 (0.46) AKT1AKT2AKT3MAPK1MAPT
SCHEMBL680706 0.76 AKT1 (0.46) AKT1AKT2AKT3MAPK1MAPT

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-9359340-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-06-07 US disclosed
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. 2016-06-02 US disclosed
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2014-11-27 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 (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-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 AKT1 1/4885AKT2 2/4885AKT3 4/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 AKT1 1/4885AKT2 2/4885AKT3 4/4885

“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.