SCHEMBL683420

SCHEMBL683420

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.42
AKR1C2 P52895 3/20 0.42
AKR1B10 O60218 1/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C1 Q04828 1/20 0.42
PDE2A O00408 9/20 0.42
KIF11 P52732 1/20 0.42
FFAR1 O14842 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
AKT1 P31749 2/20 0.39
RPS6KB1 P23443 1/20 0.39
TRPV1 Q8NER1 2/20 0.39
TRPM8 Q7Z2W7 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
SCHEMBL684518 0.90 AKT1 (0.48) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL2738399 0.88 AKT1 (0.43) AKR1C3AKR1C2PDE2AKIF11FFAR1
SCHEMBL680749 0.88 PDE2A (0.41) AKR1C3AKR1C2PDE2AKIF11FFAR1
SCHEMBL681580 0.86 ADRB2 (0.39) AKR1C3AKR1C2PDE2AFFAR1ADRB2
SCHEMBL683280 0.85 PDPK1 (0.45) ADRB2ADRB1ADRB3
SCHEMBL16151937 0.84 AKR1C3 (0.47) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL16151918 0.83 AKR1C3 (0.49) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL684125 0.81 ADRB2 (0.41) ADRB2ADRB1ADRB3AKT1
SCHEMBL684404 0.81 AKT1 (0.47) FFAR1ADRB2ADRB1ADRB3AKT1
SCHEMBL12188439 0.81 AKT1 (0.47) FFAR1ADRB2ADRB1ADRB3AKT1

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 8 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-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 (5 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 AKR1C3 963/4885AKR1C2 825/4885AKR1B10 971/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 AKR1C3 875/4885AKR1C2 758/4885AKR1B10 970/4885
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 AKR1C3 875/4885AKR1C2 758/4885AKR1B10 970/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 AKR1C3 875/4885AKR1C2 758/4885AKR1B10 970/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 AKR1C3 875/4885AKR1C2 758/4885AKR1B10 970/4885

“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.