SCHEMBL925639

SCHEMBL925639

COC(=O)[C@@H](c1ccc(Cl)cc1)[C@H]1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 2/20 0.43
STS P08842 1/20 0.43
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL925638 1.00 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3ALDH1A1MEN1
SCHEMBL3129802 0.90 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ANPC1STS
SCHEMBL925279 0.90 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ANPC1STS
SCHEMBL925410 0.90 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ANPC1STS
SCHEMBL925281 0.90 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ANPC1STS
SCHEMBL3129810 0.90 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ANPC1STS
SCHEMBL3889978 0.88 SLC6A3 (0.47) SLC6A3
SCHEMBL21804723 0.87 USP30 (0.47) ALDH1A1STS
SCHEMBL25997726 0.86 LMNA (0.46)
SCHEMBL25998193 0.86 LMNA (0.46)

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-9409886-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-08-09 US disclosed
US-20160152601-A9 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-06-02 US disclosed
EP-2170863-B1 Pyrimido cyclopentanes useful for the treatment of inflammatory or hyperproliferative diseases ARRAY BIOPHARMA INC (US) 2015-09-02 EP disclosed
US-20140080829-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. (US) 2014-03-20 US disclosed
US-8618097-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2013-12-31 US disclosed
US-20110015204-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2011-01-20 US disclosed
EP-2170863-A2 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-04-07 EP disclosed
WO-2009006567-A2 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-01-08 WO 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-20140080829-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 SLC6A2 2079/4885SLC6A4 1998/4885SLC6A3 2159/4885
US-20160152601-A9 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 SLC6A2 2079/4885SLC6A4 1998/4885SLC6A3 2159/4885
US-20110015204-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 SLC6A2 1820/4885SLC6A4 1654/4885SLC6A3 1713/4885

“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.