Sugi Predict

Sugi Predict / Compounds / SCHEMBL2060355

SCHEMBL2060355

SCHEMBL2060355

O=C1N=Cc2cc(-c3cnc(Nc4nc5c(s4)CCC5)c4nccn34)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK5 Q8IW41 9/20 0.41
▸ RAB9A P51151 5/20 0.33
▸ NPC1 O15118 4/20 0.33
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ POLB P06746 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ TP53 P04637 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ FGFR3 P22607 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ GAA P10253 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ FYN P06241 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
SCHEMBL2060357 0.85 MAPKAPK5 (0.57) MAPKAPK5RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2060181 0.81 MAPKAPK5 (0.42) MAPKAPK5FYNAURKAAURKB
SCHEMBL2060511 0.81 MAPKAPK5 (0.43) MAPKAPK5ALDH1A1FYNAURKAAURKB
SCHEMBL2060523 0.79 MAPKAPK5 (0.42) MAPKAPK5FYNAURKAAURKB
SCHEMBL2060332 0.79 MAPKAPK5 (0.42) MAPKAPK5FYN
SCHEMBL2061179 0.78 MAPKAPK5 (0.42) MAPKAPK5SMN1; SMN2KDRFYNAURKB
SCHEMBL2060380 0.78 MAPKAPK5 (0.40) MAPKAPK5KDRAURKAAURKBKMT2A
SCHEMBL2060196 0.77 MAPKAPK5 (0.39) MAPKAPK5FYNAURKAAURKB
SCHEMBL2060469 0.76 MAPKAPK5 (0.51) MAPKAPK5FYNAURKAAURKB
SCHEMBL2060320 0.76 MAPKAPK5 (0.41) MAPKAPK5SMN1; SMN2ALDH1A1FGFR3KDR

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 307/4885RAB9A 2142/4885NPC1 3263/4885
US-20120232075-A1 Fused Pyrazine Compounds Useful for the Treatment of Degenerative and Inflammatory Diseases TNF, LITAF, CNKSR1 MAPKAPK5 307/4885RAB9A 2142/4885NPC1 3263/4885

“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.