SCHEMBL680741

SCHEMBL680741

CC(C)C(=O)[C@H](CNC1CCNCC1)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.40
SLC6A4 P31645 4/20 0.40
SLC6A3 Q01959 3/20 0.40
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AKT3 Q9Y243 5/20 0.38
AKT2 P31751 4/20 0.38
AKT1 P31749 3/20 0.38
SOS1 Q07889 1/20 0.37
MEN1 O00255 1/20 0.37
MITF O75030 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL680723 0.93 SLC6A2 (0.40) SLC6A2SLC6A4GAAHPGDSMN1; SMN2
SCHEMBL680936 0.93 SLC6A2 (0.40) SLC6A2SLC6A4GAAHPGDSMN1; SMN2
SCHEMBL680729 0.91 GAA (0.43) GAAHPGDSMN1; SMN2AKT3AKT2
SCHEMBL684115 0.87 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3AKT3AKT2
SCHEMBL681002 0.87 AKT3 (0.47) GAAHPGDSMN1; SMN2AKT3AKT2
SCHEMBL680938 0.86 BRD4 (0.43) GAAHPGDSMN1; SMN2AKT3AKT2
SCHEMBL681399 0.86 AKT3 (0.40) GAAHPGDSMN1; SMN2AKT3AKT2
SCHEMBL14267027 0.86 BRD4 (0.43) GAAHPGDSMN1; SMN2AKT3AKT2
SCHEMBL679641 0.85 AKT3 (0.49) GAAHPGDSMN1; SMN2AKT3AKT2
SCHEMBL16261013 0.84 GAA (0.40) GAAHPGDSMN1; SMN2AKT3AKT2

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 6 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-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2018-06-21 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-8003651-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-08-23 US disclosed
US-20080058327-A1 4-piperazinyl-5H-6,7-dihydrocyclopenta(d)pyrimidines; Hyperproliferative diseases such as cancer GENENTECH, INC. 2008-03-06 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-20080058327-A1 4-piperazinyl-5H-6,7-dihydrocyclopenta(d)pyrimidines; Hyperproliferative diseases such as cancer PIK3CA, DPYD, CDK2 SLC6A2 2330/4885SLC6A4 1990/4885SLC6A3 2482/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 SLC6A2 3153/4885SLC6A4 2692/4885SLC6A3 2538/4885
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 SLC6A2 3153/4885SLC6A4 2692/4885SLC6A3 2538/4885
US-20200345735-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 SLC6A2 3153/4885SLC6A4 2692/4885SLC6A3 2538/4885

“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.