SCHEMBL22123771

SCHEMBL22123771

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N(C)C5CCN(C)CC5)cc4)nccn23)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 9/20 0.52
▸ MCHR1 Q99705 2/20 0.49
▸ JAK2 O60674 6/20 0.48
▸ JAK1 P23458 6/20 0.48
▸ MAPKAPK5 Q8IW41 1/20 0.46
▸ AURKA O14965 1/20 0.45
▸ SMO Q99835 1/20 0.45

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
SCHEMBL22123730 0.90 TTK (0.45) TTKMCHR1JAK2JAK1MAPKAPK5
SCHEMBL22122900 0.85 TTK (0.54) TTKMAPKAPK5AURKA
SCHEMBL22125448 0.83 TTK (0.51) TTKMCHR1JAK2MAPKAPK5AURKA
SCHEMBL22125450 0.83 TTK (0.52) TTKMAPKAPK5
SCHEMBL22122895 0.81 TTK (0.52) TTKMAPKAPK5AURKA
SCHEMBL24911179 0.81 TTK (0.47) TTKJAK2JAK1MAPKAPK5AURKA
SCHEMBL22122974 0.81 TTK (0.49) TTKJAK2MAPKAPK5AURKA
SCHEMBL22122916 0.80 TTK (0.49) TTKMAPKAPK5AURKA
SCHEMBL24910455 0.80 TTK (0.48) TTKJAK2JAK1MAPKAPK5AURKA
SCHEMBL22123693 0.79 TTK (0.56) TTK

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 8 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
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 4519/4885MCHR1 3589/4885JAK2 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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