SCHEMBL4123744

SCHEMBL4123744

CC(C)(C)OC(=O)NCC1CCN(c2ncnc3[nH]c(=O)[nH]c23)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 4/20 0.50
SIRT1 Q96EB6 4/20 0.50
SIRT3 Q9NTG7 4/20 0.50
CKS1B P61024 1/20 0.48
SKP1 P63208 1/20 0.48
SKP2 Q13309 1/20 0.48
AKT2 P31751 2/20 0.46
ACACB O00763 6/20 0.45
ACACA Q13085 6/20 0.45
KIT P10721 1/20 0.41
DRD2 P14416 2/20 0.41
ENPP1 P22413 1/20 0.41
PBK Q96KB5 1/20 0.41

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
SCHEMBL1003851 0.85 CNR1 (0.47) SIRT2SIRT1SIRT3CKS1BSKP1
SCHEMBL14163061 0.82 CHEK1 (0.41) SIRT2SIRT1SIRT3AKT2
SCHEMBL4124792 0.82 SIRT2 (0.52) SIRT2SIRT1SIRT3CKS1BSKP1
SCHEMBL30151471 0.81 AKT2 (0.58) SIRT2SIRT1SIRT3CKS1BSKP1
SCHEMBL14391712 0.81 AKT2 (0.58) SIRT2SIRT1SIRT3CKS1BSKP1
SCHEMBL4124235 0.81 AKT2 (0.58) SIRT2SIRT1SIRT3CKS1BSKP1
SCHEMBL24805277 0.79 AKT1 (0.53) SIRT2SIRT1SIRT3CKS1BSKP1
SCHEMBL3916263 0.77 AKT2 (0.59) AKT2KITENPP1
SCHEMBL16023418 0.75 SIRT2 (0.85) SIRT2SIRT1SIRT3
SCHEMBL21664280 0.74 SIRT2 (0.53) SIRT2SIRT1SIRT3CKS1BSKP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253718-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2009-10-08 US disclosed
US-20090253718-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2009-10-08 US disclosed
US-20090253718-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2009-10-08 US disclosed
US-20090099213-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2009-04-16 US disclosed
US-20090099213-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2009-04-16 US disclosed
US-20090099213-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2009-04-16 US disclosed
WO-2007125315-A2 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 WO disclosed
EP-1812003-A1 ORTHO- CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E. G. PURINES) AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2007-08-01 EP disclosed
WO-2006046023-A1 ORTHO- CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E. G. PURINES) AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-05-04 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 (2 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-20090253718-A1 Pharmaceutical Compounds GRK3, CNKSR1, CSNK1G3 SIRT2 1462/4885SIRT1 977/4885SIRT3 765/4885
US-20090099213-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors OXSR1, CDK1, CDK3 SIRT2 2652/4885SIRT1 2107/4885SIRT3 1723/4885

“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.