SCHEMBL684450

SCHEMBL684450

CC(=O)[C@@H](Cc1ccc(Cl)cc1)NCC(=O)NC(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.46
GAA P10253 2/20 0.45
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
FDFT1 P37268 1/20 0.39
CNR2 P34972 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
FPR2 P25090 2/20 0.39
MEN1 O00255 1/20 0.39
PSMB8 P28062 1/20 0.39
PSMB5 P28074 1/20 0.39
LMNA P02545 1/20 0.39
CA2 P00918 1/20 0.38
NOS2 P35228 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
SCHEMBL680880 0.88 GAA (0.44) ACACBGAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL13323478 0.79 ACACB (0.49) ACACBGAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL684443 0.79 ACACB (0.49) ACACBGAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL684166 0.79 ALDH1A1 (0.41) ACACBKMT2AALDH1A1HTTSLC6A2
SCHEMBL5746278 0.77 ACACB (0.57) ACACBALDH1A1HTTSLC6A2SLC6A3
SCHEMBL12188588 0.76 ACACB (0.48) ACACBKMT2ASLC6A2SLC6A3MEN1
SCHEMBL14950914 0.76 ACACB (0.48) ACACBKMT2ASLC6A2SLC6A3MEN1
SCHEMBL13323474 0.76 ACACB (0.48) ACACBKMT2ASLC6A2SLC6A3MEN1
SCHEMBL11304027 0.75 ALDH1A1 (0.50) GAAKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL18885276 0.74 CNR2 (0.67) GAAKMT2AALDH1A1HTTCNR2

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 ACACB 3006/4885GAA 2389/4885KMT2A 1785/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 ACACB 3204/4885GAA 2430/4885KMT2A 1884/4885
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 ACACB 3204/4885GAA 2430/4885KMT2A 1884/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 ACACB 3204/4885GAA 2430/4885KMT2A 1884/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 ACACB 3204/4885GAA 2430/4885KMT2A 1884/4885

“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.