SCHEMBL684209

SCHEMBL684209

CC(=O)[C@H](CN(C)C(C)C)c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 15/20 0.50
SLC6A4 P31645 3/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL679737 0.89 PDE2A (0.49) PDE2ASLC6A4SLC6A2SLC6A3GAA
SCHEMBL8223539 0.89 PDE2A (0.49) PDE2ASLC6A4SLC6A2SLC6A3GAA
SCHEMBL681205 0.86 PDE2A (0.49) PDE2ASLC6A4SLC6A2SLC6A3GAA
SCHEMBL12188449 0.80 PDE2A (0.54) PDE2AGAA
SCHEMBL12188384 0.78 PDE2A (0.51) PDE2AGAA
SCHEMBL681320 0.72 PDE2A (0.54) PDE2ASLC6A4GAA
SCHEMBL16151880 0.72 PDE2A (0.47) PDE2ASLC6A4
SCHEMBL12168589 0.71 KDM4E (0.34) SLC6A2
SCHEMBL7677030 0.71 PDE2A (0.55) PDE2AGAASMN1; SMN2
SCHEMBL18210575 0.70 PDE2A (0.63) PDE2A

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 PDE2A 1995/4885SLC6A4 2789/4885SLC6A2 3273/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PDE2A 1813/4885SLC6A4 2692/4885SLC6A2 3153/4885
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PDE2A 1813/4885SLC6A4 2692/4885SLC6A2 3153/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PDE2A 1813/4885SLC6A4 2692/4885SLC6A2 3153/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PDE2A 1813/4885SLC6A4 2692/4885SLC6A2 3153/4885

“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.