SCHEMBL684568

SCHEMBL684568

CC(=O)[C@H](CNC(C)C)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CNR2 P34972 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
GSK3B P49841 1/20 0.39
LDHA P00338 2/20 0.39
LDHB P07195 2/20 0.39
CYP3A4 P08684 1/20 0.39
FFAR1 O14842 3/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL12188333 1.00 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL681195 0.87 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2738513 0.87 CNR2 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2738579 0.87 CNR2 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL679682 0.87 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12219558 0.85 LMNA (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14287982 0.85 MEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12188492 0.85 TACR1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL681594 0.84 CA1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL681564 0.84 CA1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160235754-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-08-18 US disclosed
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
US-8853199-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-10-07 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 (4 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-20160235754-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 PSEN1 3929/4885PSEN2 3855/4885APH1B 4422/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PSEN1 3715/4885PSEN2 3861/4885APH1B 4333/4885
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PSEN1 3715/4885PSEN2 3861/4885APH1B 4333/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PSEN1 3715/4885PSEN2 3861/4885APH1B 4333/4885

“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.