SCHEMBL22122946

SCHEMBL22122946

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N(C)CC5CCNCC5)c(Cl)c4)nccn23)cc1F

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 16/20 0.51
▸ MAPKAPK5 Q8IW41 1/20 0.41
▸ LCK P06239 6/20 0.41
▸ AURKB Q96GD4 5/20 0.41
▸ TTK P33981 2/20 0.40
▸ BCL6 P41182 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
SCHEMBL30172078 1.00 PTK6 (0.51) PTK6MAPKAPK5LCKAURKBTTK
SCHEMBL22139165 0.93 PTK6 (0.50) PTK6MAPKAPK5LCKAURKBTTK
SCHEMBL24870951 0.93 TTK (0.45) PTK6MAPKAPK5LCKAURKBTTK
SCHEMBL30171585 0.93 TTK (0.45) PTK6MAPKAPK5LCKAURKBTTK
SCHEMBL30187447 0.90 PTK6 (0.53) PTK6MAPKAPK5LCKAURKBTTK
SCHEMBL22123761 0.90 PTK6 (0.53) PTK6MAPKAPK5LCKAURKBTTK
SCHEMBL22139120 0.87 PTK6 (0.54) PTK6MAPKAPK5LCKAURKBBCL6
Hydrochloric Acid SCHEMBL30171709 0.87 PTK6 (0.53) PTK6MAPKAPK5LCKAURKBBCL6
SCHEMBL22123157 0.86 TTK (0.44) PTK6MAPKAPK5AURKBTTK
SCHEMBL30171704 0.86 TTK (0.44) PTK6MAPKAPK5AURKBTTK

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 3 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

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 2211/4885MAPKAPK5 647/4885LCK 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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