SCHEMBL589628

SCHEMBL589628

CC1(C)OCC(CN(CC2COC(C)(C)O2)C(=O)c2cnc(C(N)=O)cn2)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.43
SCN9A Q15858 1/20 0.43
SIRT6 Q8N6T7 2/20 0.38
CA2 P00918 2/20 0.38
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TMEM97 Q5BJF2 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
JAK2 O60674 2/20 0.33
NTRK1 P04629 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL27751224 0.78 CA2 (0.47) FPR2SCN9ASIRT6CA2ALDH1A1
SCHEMBL28344599 0.72 FPR2 (0.37) FPR2SCN9ASIRT6CA2ALDH1A1
SCHEMBL2658028 0.72 SIRT6 (0.40) FPR2SCN9ASIRT6ADRA1A
SCHEMBL7129931 0.68 CA2 (0.43) FPR2SCN9ACA2ALDH1A1NPSR1
SCHEMBL2662008 0.68 TMEM97 (0.45) FPR2SCN9ACA2ALDH1A1NPSR1
SCHEMBL1080225 0.68 TMEM97 (0.45) FPR2SCN9ACA2ALDH1A1NPSR1
SCHEMBL1760416 0.66 CA2 (0.44) FPR2SCN9ACA2ALDH1A1NPSR1
SCHEMBL14881925 0.66 CA2 (0.39) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL14881606 0.66 CA2 (0.39) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL14881605 0.66 CA2 (0.39) CA2ALDH1A1NPSR1TMEM97SIGMAR1

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 4 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
EP-2376459-A1 MODIFIED PYRAZINE DERIVATIVES AND USES THEREOF Mallinckrodt LLC (US) 2011-10-19 EP disclosed
US-20110250139-A1 Modified Pyrazine Derivatives and Uses Thereof MEDIBEACON, INC. 2011-10-13 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-20110250139-A1 Modified Pyrazine Derivatives and Uses Thereof GLS, GLS2, PLPBP FPR2 439/4885SCN9A 4877/4885SIRT6 2338/4885
US-20120100078-A1 Pyrazine Derivatives and Uses Thereof in Renal Monitoring CYP3A5, GLS, XDH FPR2 112/4885SCN9A 4492/4885SIRT6 1607/4885

“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.