SCHEMBL22122834

SCHEMBL22122834

Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)N1CCC(C(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CC1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 7/20 0.42
▸ TTK P33981 12/20 0.41
▸ LCK P06239 3/20 0.37
▸ AURKB Q96GD4 2/20 0.36
▸ MAPKAPK5 Q8IW41 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
SCHEMBL22122835 1.00 PTK6 (0.42) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL22124221 0.91 PTK6 (0.42) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL22124520 0.91 PTK6 (0.42) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL22124219 0.91 PTK6 (0.42) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL22125004 0.90 PTK6 (0.47) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL22124502 0.89 PTK6 (0.41) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL22124503 0.89 PTK6 (0.41) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL22125041 0.89 PTK6 (0.44) PTK6TTKLCKAURKBMAPKAPK5
Formic Acid SCHEMBL30177714 0.89 PTK6 (0.41) PTK6TTKLCKAURKBMAPKAPK5
Formic Acid SCHEMBL30177748 0.89 PTK6 (0.41) PTK6TTKLCKAURKBMAPKAPK5

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 6 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
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 4482/4885LCK 2521/4885

“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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