SCHEMBL4124792

SCHEMBL4124792

CC(C)(C)OC(=O)NCC1CCN(c2ncnc3[nH]cnc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 6/20 0.52
SIRT1 Q96EB6 6/20 0.52
SIRT3 Q9NTG7 6/20 0.52
CKS1B P61024 1/20 0.50
SKP1 P63208 1/20 0.50
SKP2 Q13309 1/20 0.50
ACACB O00763 6/20 0.45
ACACA Q13085 6/20 0.45
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
DRD2 P14416 2/20 0.42
KIT P10721 1/20 0.41
AKT2 P31751 1/20 0.40

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
SCHEMBL12082491 0.86 CKS1B (0.49) SIRT2SIRT1SIRT3CKS1BSKP1
SCHEMBL30151471 0.84 AKT2 (0.58) SIRT2SIRT1SIRT3CKS1BSKP1
SCHEMBL4124235 0.84 AKT2 (0.58) SIRT2SIRT1SIRT3CKS1BSKP1
SCHEMBL1001746 0.84 CNR1 (0.50) SIRT2SIRT1SIRT3CKS1BSKP1
SCHEMBL24805277 0.83 AKT1 (0.53) SIRT2SIRT1SIRT3CKS1BSKP1
SCHEMBL14391712 0.82 AKT2 (0.58) SIRT2SIRT1SIRT3CKS1BSKP1
SCHEMBL4123744 0.82 SIRT2 (0.50) SIRT2SIRT1SIRT3CKS1BSKP1
SCHEMBL3491159 0.79 SIRT2 (0.40) SIRT2SIRT1SIRT3KITAKT2
SCHEMBL1031240 0.77 KIT (0.58) CKS1BSKP1SKP2KIT
SCHEMBL30225432 0.77 KIT (0.58) CKS1BSKP1SKP2KIT

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-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

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.