SCHEMBL681228

SCHEMBL681228

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.48
RPS6KB1 P23443 1/20 0.48
AKR1C3 P42330 3/20 0.45
AKR1C2 P52895 3/20 0.45
KDR P35968 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PDK1 Q15118 1/20 0.41
AKR1B10 O60218 1/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C1 Q04828 1/20 0.40
MAPK1 P28482 2/20 0.40
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39
SLC6A3 Q01959 3/20 0.39
CASR P41180 1/20 0.38
S1PR1 P21453 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL16151918 0.89 AKR1C3 (0.49) AKT1RPS6KB1AKR1C3AKR1C2KDR
SCHEMBL681158 0.88 AKT1 (0.46) AKT1RPS6KB1AKR1C3AKR1C2KDR
SCHEMBL2738687 0.88 RPS6KB1 (0.52) AKT1RPS6KB1AKR1C3AKR1C2KDR
SCHEMBL680756 0.86 AKT1 (0.47) AKT1RPS6KB1AKR1C3AKR1C2KDM4E
SCHEMBL680766 0.84 ALDH1A1 (0.48) SLC6A3ALDH1A1LMNA
SCHEMBL680749 0.84 PDE2A (0.41) AKT1RPS6KB1AKR1C3AKR1C2
SCHEMBL681282 0.83 AKT1 (0.46) AKT1RPS6KB1KDM4EMAPK1MEN1
SCHEMBL680706 0.83 AKT1 (0.46) AKT1RPS6KB1KDM4EMAPK1MEN1
SCHEMBL681430 0.82 MAPK1 (0.42) AKT1RPS6KB1AKR1C3AKR1C2MAPK1
SCHEMBL12168544 0.82 S1PR1 (0.38) AKR1C3AKR1C2KDM4EMAPK1S1PR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200345735-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-11-05 US disclosed
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. (US) 2012-09-13 US disclosed
US-8063050-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-11-22 US disclosed
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2008-02-28 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 (3 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-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 AKT1 1/4885RPS6KB1 237/4885AKR1C3 875/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 AKT1 1/4885RPS6KB1 237/4885AKR1C3 875/4885
US-20200345735-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 AKT1 1/4885RPS6KB1 237/4885AKR1C3 875/4885

“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.