SCHEMBL680880

SCHEMBL680880

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
ACACB O00763 1/20 0.42
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
FDFT1 P37268 1/20 0.39
CNR2 P34972 2/20 0.38
FPR2 P25090 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MEN1 O00255 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PSMB8 P28062 1/20 0.38
PSMB5 P28074 1/20 0.38
LMNA P02545 1/20 0.38
CA2 P00918 1/20 0.38
NOS2 P35228 1/20 0.37

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
SCHEMBL684450 0.88 ACACB (0.46) GAAACACBKMT2ASMN1; SMN2ALDH1A1
SCHEMBL680893 0.81 ACACB (0.39) ACACBKMT2ASMN1; SMN2TSHRALDH1A1
SCHEMBL680890 0.80 ACACB (0.44) GAAACACBKMT2ASMN1; SMN2TSHR
SCHEMBL20892764 0.80 ACACB (0.44) GAAACACBKMT2ASMN1; SMN2TSHR
SCHEMBL681837 0.79 ACACB (0.42) GAAACACBKMT2ATSHRALDH1A1
SCHEMBL12537186 0.79 ACACB (0.57) GAAACACBTSHRFPR2SLC6A2
SCHEMBL681500 0.78 SLC6A2 (0.46) GAAACACBKMT2ASMN1; SMN2TSHR
SCHEMBL681060 0.75 HTRA1 (0.46) GAAACACBKMT2ASMN1; SMN2SLC6A2
SCHEMBL11304027 0.74 ALDH1A1 (0.50) GAAKMT2ASMN1; SMN2TSHRALDH1A1
SCHEMBL681663 0.74 BCHE (0.50) KMT2ASMN1; SMN2ALDH1A1MEN1

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 4 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-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 (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-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 GAA 2430/4885ACACB 3204/4885KMT2A 1884/4885
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 GAA 2430/4885ACACB 3204/4885KMT2A 1884/4885
US-20200345735-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 GAA 2430/4885ACACB 3204/4885KMT2A 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.