SCHEMBL22123093

SCHEMBL22123093

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCCCCN)c(C)c4)nccn23)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 7/20 0.40
▸ SYK P43405 6/20 0.37
▸ MAPKAPK5 Q8IW41 1/20 0.36
▸ IDO1 P14902 2/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ PTK6 Q13882 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ ZAP70 P43403 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CDK2 P24941 1/20 0.35

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
SCHEMBL22123423 0.99 TTK (0.39) TTKSYKMAPKAPK5IDO1BRD4
SCHEMBL22123010 0.99 TTK (0.39) TTKSYKMAPKAPK5IDO1BRD4
SCHEMBL22123018 0.99 TTK (0.39) TTKSYKMAPKAPK5IDO1BRD4
Hydrochloric Acid SCHEMBL30171936 0.99 TTK (0.39) TTKSYKMAPKAPK5IDO1BRD4
Hydrochloric Acid SCHEMBL30171907 0.99 TTK (0.39) TTKSYKMAPKAPK5IDO1BRD4
Hydrochloric Acid SCHEMBL30172089 0.99 TTK (0.39) TTKSYKMAPKAPK5IDO1BRD4
Hydrochloric Acid SCHEMBL30172077 0.99 TTK (0.39) TTKSYKMAPKAPK5IDO1BRD4
SCHEMBL22122955 0.98 TTK (0.40) TTKSYKMAPKAPK5IDO1PTK6
SCHEMBL30202051 0.95 TTK (0.41) TTKSYKMAPKAPK5IDO1PTK6
SCHEMBL30201975 0.94 TTK (0.38) TTKSYKMAPKAPK5IDO1PTK6

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-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
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
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 4482/4885SYK 954/4885MAPKAPK5 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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