SCHEMBL589543

SCHEMBL589543

COCCOCCOCCOCCC(=O)NCCN(CCNC(=O)CCOCCOCCOCCOC)C(=O)c1cnc(C(N)=O)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.37
HPGD P15428 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.33
KDM4E B2RXH2 3/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 1/20 0.31
HDAC1 Q13547 1/20 0.31
TIPARP Q7Z3E1 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA4 P22748 2/20 0.30
CA9 Q16790 2/20 0.30
CA14 Q9ULX7 2/20 0.30

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
SCHEMBL589821 1.00 SIRT6 (0.37) SIRT6HPGDKMT2AMEN1TSHR
SCHEMBL2133704 1.00 SIRT6 (0.37) SIRT6HPGDKMT2AMEN1TSHR
SCHEMBL28344438 0.85 SIRT6 (0.41) SIRT6HPGDKMT2AMEN1TSHR
SCHEMBL28452713 0.85 SIRT6 (0.41) SIRT6HPGDKMT2AMEN1TSHR
SCHEMBL2516931 0.84 SIRT6 (0.45) SIRT6HPGDTSHRKDM4ECA2
SCHEMBL2482296 0.84 SIRT6 (0.45) SIRT6HPGDTSHRKDM4ECA2
SCHEMBL2520261 0.76 SIRT6 (0.40) SIRT6
SCHEMBL28945656 0.76 SIRT6 (0.46) SIRT6HPGDKMT2AL3MBTL1SMN1; SMN2
SCHEMBL2520021 0.74 TSHR (0.33) HPGDTSHRKDM4E
SCHEMBL589138 0.73 CKS1B (0.46) SIRT6KMT2AMEN1KDM4ECA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029554-B1 PYRAZINE DERIVATIVES AND USES THEREOF IN RENAL MONITORING MEDIBEACON LLC (US) 2014-03-19 EP disclosed
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
EP-2029554-A1 PYRAZINE DERIVATIVES AND USES THEREOF IN RENAL MONITORING Mallinckrodt, Inc. (US) 2009-03-04 EP disclosed
WO-2007149479-A1 PYRAZINE DERIVATIVES AND USES THEREOF IN RENAL MONITORING MALLINCKRODT INC. (US) 2007-12-27 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 (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 SIRT6 1607/4885HPGD 204/4885KMT2A 3913/4885

“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.