SCHEMBL22123450

SCHEMBL22123450

CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)NCC(=O)N1CCN[C@H](CO)C1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 11/20 0.40
▸ AURKB Q96GD4 6/20 0.36
▸ LCK P06239 4/20 0.34
▸ MAPKAPK5 Q8IW41 1/20 0.33
▸ TTK P33981 5/20 0.33
▸ PTK2 Q05397 1/20 0.32
▸ AXL P30530 1/20 0.31
▸ FGFR3 P22607 1/20 0.31

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
SCHEMBL30171732 1.00 PTK6 (0.40) PTK6AURKBLCKMAPKAPK5TTK
SCHEMBL22124668 0.95 PTK6 (0.38) PTK6AURKBLCKMAPKAPK5TTK
SCHEMBL22124465 0.94 PTK6 (0.41) PTK6AURKBLCKMAPKAPK5TTK
SCHEMBL22122882 0.93 PTK6 (0.39) PTK6AURKBLCKMAPKAPK5TTK
SCHEMBL22123102 0.92 PTK6 (0.38) PTK6AURKBLCKMAPKAPK5TTK
SCHEMBL22125143 0.92 PTK6 (0.38) PTK6AURKBLCKMAPKAPK5TTK
SCHEMBL30349825 0.92 PTK6 (0.38) PTK6AURKBLCKMAPKAPK5TTK
SCHEMBL22122833 0.92 PTK6 (0.38) PTK6AURKBLCKMAPKAPK5TTK
SCHEMBL30183424 0.92 PTK6 (0.38) PTK6AURKBLCKMAPKAPK5TTK
SCHEMBL22123447 0.91 PTK6 (0.38) PTK6AURKBLCKMAPKAPK5TTK

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 PTK6 2211/4885AURKB 3359/4885LCK 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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