SCHEMBL22123730

SCHEMBL22123730

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N(C)C5CCN(C)CC5)c(C)c4)nccn23)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 8/20 0.45
▸ PTK6 Q13882 1/20 0.42
▸ JAK2 O60674 2/20 0.41
▸ JAK1 P23458 2/20 0.41
▸ MCHR1 Q99705 2/20 0.41
▸ AURKA O14965 1/20 0.41
▸ SMO Q99835 2/20 0.40
▸ MAPKAPK5 Q8IW41 3/20 0.40
▸ EGLN1 Q9GZT9 1/20 0.39

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
SCHEMBL24911179 0.92 TTK (0.47) TTKPTK6JAK2JAK1AURKA
SCHEMBL22123771 0.90 TTK (0.52) TTKJAK2JAK1MCHR1AURKA
SCHEMBL22123693 0.87 TTK (0.56) TTKPTK6
SCHEMBL22123505 0.86 TTK (0.46) TTKPTK6AURKAMAPKAPK5
SCHEMBL30171606 0.84 PTK6 (0.53) TTKPTK6MAPKAPK5
SCHEMBL22124498 0.84 PTK6 (0.53) TTKPTK6MAPKAPK5
SCHEMBL22123990 0.84 PTK6 (0.47) TTKPTK6MCHR1MAPKAPK5
SCHEMBL30177674 0.84 PTK6 (0.47) TTKPTK6MCHR1MAPKAPK5
SCHEMBL22123070 0.84 TTK (0.48) TTKPTK6MAPKAPK5EGLN1
SCHEMBL22139073 0.83 TTK (0.49) TTKPTK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898629-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP claimed
WO-2020127075-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO claimed
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US disclosed
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US disclosed
EP-3898629-B1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
EP-3898629-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
WO-2020127075-A1 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-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IL4, RPS4Y1, RPS4X TTK 4519/4885PTK6 1818/4885JAK2 250/4885

“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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