SCHEMBL22124402

SCHEMBL22124402

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCN(C(=O)N6CCNCC6)CC5)c(C)c4)nccn23)c(F)c1F

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 19/20 0.54
▸ AURKB Q96GD4 8/20 0.49
▸ LCK P06239 7/20 0.44
▸ MKNK1 Q9BUB5 1/20 0.40
▸ MKNK2 Q9HBH9 1/20 0.40

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
SCHEMBL30177799 0.97 PTK6 (0.56) PTK6AURKBLCKMKNK1MKNK2
SCHEMBL22124899 0.97 PTK6 (0.56) PTK6AURKBLCKMKNK1MKNK2
Hydrochloric Acid SCHEMBL25173591 0.96 PTK6 (0.55) PTK6AURKBLCKMKNK1MKNK2
SCHEMBL22124012 0.92 PTK6 (0.49) PTK6AURKBLCK
SCHEMBL30177870 0.92 PTK6 (0.49) PTK6AURKBLCK
SCHEMBL22124952 0.92 PTK6 (0.45) PTK6AURKBLCK
SCHEMBL24916505 0.92 PTK6 (0.43) PTK6AURKBLCK
Hydrochloric Acid SCHEMBL30385752 0.91 PTK6 (0.49) PTK6AURKBLCK
SCHEMBL24870717 0.91 PTK6 (0.51) PTK6AURKBLCK
Hydrochloric Acid SCHEMBL30171552 0.91 PTK6 (0.45) PTK6AURKBLCK

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-3897839-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP claimed
WO-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO claimed
US-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 — — US disclosed
EP-3897839-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
WO-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS 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-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 PTK6 2201/4885AURKB 3265/4885LCK 2427/4885

“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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