SCHEMBL4976336

SCHEMBL4976336

CCOC(=O)C(=[N+]=[N-])C(=O)CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.44
ALDH1A1 P00352 6/20 0.42
CYP2D6 P10635 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 2/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
GLO1 Q04760 1/20 0.34
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALOX15 P16050 1/20 0.32
SOAT1 P35610 1/20 0.32

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
SCHEMBL17964096 0.85 GAA (0.52) EGLN1ALDH1A1CYP2D6SMN1; SMN2GAA
SCHEMBL17194942 0.85 MAPT (0.39) EGLN1ALDH1A1CYP2D6SMN1; SMN2GAA
SCHEMBL2255510 0.84 SOAT1 (0.39) EGLN1ALDH1A1CYP2D6SMN1; SMN2GAA
SCHEMBL19677667 0.84 EGLN1 (0.38) EGLN1ALDH1A1TSHR
SCHEMBL2204826 0.83 ALDH1A1 (0.43) EGLN1ALDH1A1CYP2D6SMN1; SMN2GAA
SCHEMBL16808974 0.82 ALDH1A1 (0.36) EGLN1ALDH1A1CYP2D6SMN1; SMN2GAA
SCHEMBL10644070 0.82 ALDH1A1 (0.36) EGLN1ALDH1A1CYP2D6SMN1; SMN2GAA
SCHEMBL17188463 0.81 CES2 (0.41) EGLN1ALDH1A1CYP2D6SMN1; SMN2GAA
SCHEMBL6129631 0.79 EGLN1 (0.54) EGLN1ALDH1A1CYP2D6SMN1; SMN2GAA
SCHEMBL13499946 0.78 FAAH (0.46) ALDH1A1NPSR1GLO1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2802567-B1 PYRIDAZINE AMIDE COMPOUNDS AND THEIR USE AS SYK INHIBITORS HOFFMANN LA ROCHE (CH) 2017-03-01 EP disclosed
US-8901124-B2 Pyridazine amide compounds useful as SYK inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-12-02 US disclosed
EP-2802567-A1 PYRIDAZINE AMIDE COMPOUNDS AND THEIR USE AS SYK INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-11-19 EP disclosed
WO-2013104573-A1 PYRIDAZINE AMIDE COMPOUNDS AND THEIR USE AS SYK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-07-18 WO disclosed
US-20130178478-A1 PYRIDAZINE AMIDE COMPOUNDS HOFFMAN-LA ROCHE INC. (US) 2013-07-11 US disclosed
US-20080027037-A1 Cyclic compounds TANABE SEIYAKU CO., LTD. 2008-01-31 US disclosed
US-7273868-B2 Pyrazine derivatives TANABE SEIYAKU CO., LTD. (JP) 2007-09-25 US disclosed
US-7220736-B2 Pyrimidine compounds TANABE SEIYAKU CO., LTD. (JP) 2007-05-22 US disclosed
US-20040142930-A1 Cyclic compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-22 US disclosed
US-20030229089-A1 Cyclic compounds TANABE SEIYAKU CO., LTD. (JP) 2003-12-11 US disclosed
EP-1277741-A1 CYCLIC COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2003-01-22 EP 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 (4 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-20130178478-A1 PYRIDAZINE AMIDE COMPOUNDS SYK, BTK, IRAK2 EGLN1 3516/4885ALDH1A1 3705/4885CYP2D6 2663/4885
US-20030229089-A1 Cyclic compounds PDE3B, PDE5A, PDE9A EGLN1 902/4885ALDH1A1 1341/4885CYP2D6 1129/4885
US-20040142930-A1 Cyclic compounds PDE3B, PDE4A, PDE5A EGLN1 788/4885ALDH1A1 1392/4885CYP2D6 1066/4885
US-20080027037-A1 Cyclic compounds PDE4A, PDE4B, PDE3B EGLN1 1903/4885ALDH1A1 1483/4885CYP2D6 975/4885

“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.