SCHEMBL22122929

SCHEMBL22122929

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCCC5(O)CCNCC5)c(C)c4)nccn23)cc1F

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 14/20 0.46
▸ PTK6 Q13882 3/20 0.43
▸ MAPKAPK5 Q8IW41 1/20 0.41
▸ AURKB Q96GD4 2/20 0.40
▸ SYK P43405 2/20 0.38

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
SCHEMBL22123099 0.93 TTK (0.46) TTKPTK6MAPKAPK5AURKBSYK
SCHEMBL22160923 0.92 TTK (0.45) TTKPTK6MAPKAPK5AURKBSYK
SCHEMBL24870863 0.91 TTK (0.45) TTKPTK6MAPKAPK5AURKBSYK
SCHEMBL30171599 0.91 TTK (0.45) TTKPTK6MAPKAPK5AURKBSYK
SCHEMBL22123049 0.89 TTK (0.46) TTKPTK6MAPKAPK5AURKBSYK
SCHEMBL22122944 0.88 PTK6 (0.47) TTKPTK6MAPKAPK5AURKB
SCHEMBL30183184 0.87 TTK (0.46) TTKPTK6MAPKAPK5AURKB
SCHEMBL30171837 0.86 TTK (0.49) TTKPTK6MAPKAPK5AURKBSYK
SCHEMBL22124379 0.86 TTK (0.49) TTKPTK6MAPKAPK5AURKBSYK
SCHEMBL22123797 0.85 PTK6 (0.45) TTKPTK6MAPKAPK5AURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP claimed
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP claimed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO claimed
EP-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
EP-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 — — US disclosed
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 — — US disclosed
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — 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-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 TTK 4482/4885PTK6 2211/4885MAPKAPK5 647/4885

“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.

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