SCHEMBL681008

SCHEMBL681008

CC(C)C(=O)[C@H](CNC1CCOCC1)c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.41
MAPK1 P28482 4/20 0.41
AKT1 P31749 2/20 0.41
AKT2 P31751 2/20 0.41
AKT3 Q9Y243 2/20 0.41
EPHX2 P34913 5/20 0.40
KCNK3 O14649 1/20 0.39
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL681588 0.90 MAPK1 (0.39) PDE2AMAPK1AKT1AKT2AKT3
SCHEMBL14295874 0.89 MAPK1 (0.41) PDE2AMAPK1AKT1AKT2AKT3
SCHEMBL2738628 0.87 EPHX2 (0.41) PDE2AMAPK1AKT1AKT2AKT3
SCHEMBL12168560 0.86 ALDH1A1 (0.43) MAPK1AKT1AKT2AKT3
SCHEMBL681441 0.85 AKT1 (0.53) MAPK1AKT1AKT2AKT3
SCHEMBL679723 0.85 AKT1 (0.41) MAPK1AKT1AKT2AKT3
SCHEMBL12193967 0.85 AKT1 (0.41) MAPK1AKT1AKT2AKT3
SCHEMBL681241 0.85 PDE2A (0.43) PDE2AMAPK1AKT1AKT2AKT3
SCHEMBL680818 0.84 TRPV1 (0.40) AKT1AKT2AKT3EPHX2
SCHEMBL12168557 0.83 MAPK1 (0.47) MAPK1AKT1AKT2AKT3

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 PDE2A 1813/4885MAPK1 82/4885AKT1 1/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PDE2A 1813/4885MAPK1 82/4885AKT1 1/4885
US-20200345735-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PDE2A 1813/4885MAPK1 82/4885AKT1 1/4885

“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.