SCHEMBL2060320

SCHEMBL2060320

O=C1N=Cc2cc(-c3cnc(Nc4nnc(CCN5CCCCC5)s4)c4nccn34)ccc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 8/20 0.41
FGFR3 P22607 2/20 0.37
KDR P35968 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 2/20 0.36
CYP2D6 P10635 2/20 0.36
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.32
FYN P06241 1/20 0.32
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31
ALOX15 P16050 1/20 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
SCHEMBL2060323 0.86 MAPKAPK5 (0.55) MAPKAPK5FGFR3KDRSMN1; SMN2ALDH1A1
SCHEMBL2061179 0.84 MAPKAPK5 (0.42) MAPKAPK5KDRSMN1; SMN2FYNAURKB
SCHEMBL2060380 0.81 MAPKAPK5 (0.40) MAPKAPK5KDRKMT2AMEN1AURKA
SCHEMBL2060469 0.81 MAPKAPK5 (0.51) MAPKAPK5FYNAURKAAURKB
SCHEMBL2060181 0.77 MAPKAPK5 (0.42) MAPKAPK5FYNAURKAAURKB
SCHEMBL2060523 0.77 MAPKAPK5 (0.42) MAPKAPK5FYNAURKAAURKB
SCHEMBL2060486 0.77 MAPKAPK5 (0.49) MAPKAPK5KDRFYNAURKAAURKB
SCHEMBL2060511 0.77 MAPKAPK5 (0.43) MAPKAPK5ALDH1A1FYNAURKAAURKB
SCHEMBL2060332 0.77 MAPKAPK5 (0.42) MAPKAPK5FYN
SCHEMBL2060355 0.76 MAPKAPK5 (0.41) MAPKAPK5FGFR3KDRSMN1; SMN2ALDH1A1

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-9006237-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2015-04-14 US disclosed
US-20120232075-A1 Fused Pyrazine Compounds Useful for the Treatment of Degenerative and Inflammatory Diseases ANDREWS MARTIN JAMES INGLIS (BE) 2012-09-13 US disclosed
US-8148369-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2012-04-03 US disclosed
US-20090012078-A1 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS, N.V. (BE) 2009-01-08 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-20090012078-A1 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases TNF, LITAF, CNKSR1 MAPKAPK5 307/4885FGFR3 965/4885KDR 3907/4885
US-20120232075-A1 Fused Pyrazine Compounds Useful for the Treatment of Degenerative and Inflammatory Diseases TNF, LITAF, CNKSR1 MAPKAPK5 307/4885FGFR3 965/4885KDR 3907/4885

“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.