SCHEMBL22123046

SCHEMBL22123046

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCC5CCN(C(=N)N)CC5)c(C)c4)nccn23)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 8/20 0.40
▸ F10 P00742 2/20 0.40
▸ SYK P43405 4/20 0.38
▸ PTK6 Q13882 1/20 0.36
▸ PTK2 Q05397 1/20 0.36
▸ MAPKAPK5 Q8IW41 1/20 0.36
▸ HTR4 Q13639 1/20 0.35
▸ RET P07949 1/20 0.34

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
SCHEMBL30171688 1.00 TTK (0.40) TTKF10SYKPTK6PTK2
SCHEMBL30171900 0.94 F10 (0.41) TTKF10SYKPTK6PTK2
SCHEMBL22122975 0.94 F10 (0.41) TTKF10SYKPTK6PTK2
SCHEMBL22123504 0.91 TTK (0.42) TTKSYKPTK6PTK2HTR4
SCHEMBL30172064 0.91 TTK (0.42) TTKSYKPTK6PTK2HTR4
SCHEMBL22122910 0.89 PTK2 (0.46) TTKSYKPTK6PTK2HTR4
SCHEMBL30171838 0.87 F10 (0.46) TTKF10SYKPTK6MAPKAPK5
SCHEMBL22122824 0.87 F10 (0.46) TTKF10SYKPTK6MAPKAPK5
SCHEMBL22139108 0.86 PTK2 (0.43) TTKPTK6PTK2
SCHEMBL30171895 0.86 PTK2 (0.43) TTKPTK6PTK2

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 5 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
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 4482/4885F10 2530/4885SYK 954/4885

“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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