SCHEMBL589138

SCHEMBL589138

CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)c1cnc(C(N)=O)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA9 Q16790 5/20 0.40
STK17B O94768 1/20 0.40
STK17A Q9UEE5 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
SIRT6 Q8N6T7 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GFER P55789 1/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36

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
SCHEMBL28330006 0.73 SIRT6 (0.39) SIRT6MEN1KMT2A
SCHEMBL589543 0.73 SIRT6 (0.37) CA12CA1CA2CA9SIRT6
SCHEMBL17532685 0.72 CKS1B (0.53) CKS1BSKP1SKP2TDP1ALDH1A1
SCHEMBL24340866 0.70 CKS1B (0.43) CKS1BSKP1SKP2CA12CA1
SCHEMBL24455201 0.70 CKS1B (0.48) CKS1BSKP1SKP2CA12CA1
SCHEMBL5311882 0.70 TDP1 (0.51) CKS1BSKP1SKP2CA12CA1
SCHEMBL13055403 0.70 CA14 (0.54) CKS1BSKP1SKP2CA12CA1
SCHEMBL17532669 0.70 TDP1 (0.51) CKS1BSKP1SKP2CA12CA1
SCHEMBL17532689 0.69 HPGD (0.46) CKS1BSKP1SKP2CA12CA1
SCHEMBL13055399 0.69 CA14 (0.53) CKS1BSKP1SKP2CA12CA1

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-20120100078-A1 Pyrazine Derivatives and Uses Thereof in Renal Monitoring MALLINCKRODT LLC (US) 2012-04-26 US disclosed
US-8115000-B2 Pyrazine derivatives and uses thereof in renal monitoring MALLINCKRODT LLC (US) 2012-02-14 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-20120100078-A1 Pyrazine Derivatives and Uses Thereof in Renal Monitoring CYP3A5, GLS, XDH CKS1B 3327/4885SKP1 535/4885SKP2 1424/4885

“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.