SCHEMBL12847744

SCHEMBL12847744

CCC(=O)NCC(C)(C)CC

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.31
PSMB5 P28074 1/20 0.31

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
SCHEMBL619040 0.84 MEN1 (0.44) MEN1KMT2ASMN1; SMN2HSD17B10MTNR1A
SCHEMBL12824723 0.82 HPGD (0.41) MEN1KMT2ASMN1; SMN2HSD17B10CYP1A2
SCHEMBL18569933 0.82 MEN1 (0.43) MEN1KMT2ASMN1; SMN2HSD17B10MTNR1A
SCHEMBL8438042 0.82 SMN1; SMN2 (0.34) SMN1; SMN2HSD17B10TSHR
SCHEMBL10174969 0.80 ALDH1A1 (0.34) SMN1; SMN2HSD17B10RECQL
SCHEMBL8964 0.80 MEN1 (0.50) MEN1KMT2ASMN1; SMN2MTNR1AMTNR1B
SCHEMBL16853373 0.79 MEN1 (0.40) MEN1KMT2ASMN1; SMN2HSD17B10MTNR1A
SCHEMBL12608292 0.79 KDM4E (0.43) MEN1KMT2ASMN1; SMN2HSD17B10CYP2C9
SCHEMBL26213971 0.79 MEN1 (0.40) MEN1KMT2ASMN1; SMN2HSD17B10MTNR1A
SCHEMBL26789160 0.79 MEN1 (0.40) MEN1KMT2ASMN1; SMN2HSD17B10MTNR1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324221-B2 Pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2012-12-04 US disclosed
US-20110053959-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-03-03 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 (1 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-20110053959-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, PIK3CA MEN1 2081/4885KMT2A 3145/4885SMN1; SMN2 2550/4885

“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.