SCHEMBL22122944

SCHEMBL22122944

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCCN5CCNCC5)c(C)c4)nccn23)cc1F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 7/20 0.47
▸ TTK P33981 8/20 0.47
▸ CD274 Q9NZQ7 1/20 0.44
▸ AURKB Q96GD4 4/20 0.44
▸ MAPKAPK5 Q8IW41 1/20 0.43
▸ HTR4 Q13639 1/20 0.40
▸ PIK3CA P42336 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ LCK P06239 2/20 0.39
▸ EIF4E P06730 1/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.39
▸ MKNK2 Q9HBH9 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
SCHEMBL30183184 0.96 TTK (0.46) PTK6TTKCD274AURKBMAPKAPK5
SCHEMBL22123797 0.95 PTK6 (0.45) PTK6TTKCD274AURKBMAPKAPK5
SCHEMBL22124775 0.94 PTK6 (0.45) PTK6TTKCD274AURKBMAPKAPK5
SCHEMBL22123074 0.93 TTK (0.45) PTK6TTKCD274AURKBMAPKAPK5
SCHEMBL30171657 0.93 PTK6 (0.55) PTK6CD274AURKBMAPKAPK5HTR4
SCHEMBL22123965 0.93 PTK6 (0.55) PTK6CD274AURKBMAPKAPK5HTR4
SCHEMBL22122862 0.90 TTK (0.45) PTK6TTKCD274AURKBMAPKAPK5
SCHEMBL22123977 0.90 PTK6 (0.44) PTK6TTKAURKBHTR4EIF4E
SCHEMBL30171824 0.90 PTK6 (0.44) PTK6TTKAURKBHTR4EIF4E
Hydrochloric Acid SCHEMBL30171690 0.89 PTK6 (0.43) PTK6TTKAURKBHTR4EIF4E

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
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 PTK6 2211/4885TTK 4482/4885CD274 3874/4885

“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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