SCHEMBL22124191

SCHEMBL22124191

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCC(C(=O)N6CCOC(CN)C6)CC5)c(C)c4)nccn23)cc1F

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK5 Q8IW41 2/20 0.43
▸ PTK6 Q13882 8/20 0.43
▸ EPHA2 P29317 4/20 0.40
▸ KDR P35968 3/20 0.40
▸ PIK3CD O00329 1/20 0.40
▸ AURKB Q96GD4 5/20 0.40
▸ TTK P33981 4/20 0.40
▸ EPHB4 P54760 2/20 0.39
▸ LCK P06239 4/20 0.37

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
Hydrochloric Acid SCHEMBL30171706 0.99 MAPKAPK5 (0.43) MAPKAPK5PTK6EPHA2KDRPIK3CD
SCHEMBL22125196 0.94 PTK6 (0.51) MAPKAPK5PTK6EPHA2KDRAURKB
SCHEMBL30201966 0.94 PTK6 (0.51) MAPKAPK5PTK6EPHA2KDRAURKB
SCHEMBL30172075 0.89 MAPKAPK5 (0.45) MAPKAPK5PTK6EPHA2KDRAURKB
SCHEMBL22124066 0.89 MAPKAPK5 (0.45) MAPKAPK5PTK6EPHA2KDRAURKB
SCHEMBL22139177 0.88 PTK6 (0.48) MAPKAPK5PTK6PIK3CDAURKBTTK
SCHEMBL22123974 0.88 PTK6 (0.48) MAPKAPK5PTK6AURKBTTKLCK
SCHEMBL22139086 0.88 PTK6 (0.49) MAPKAPK5PTK6AURKBTTKLCK
SCHEMBL22124226 0.88 PTK6 (0.44) MAPKAPK5PTK6PIK3CDAURKBTTK
SCHEMBL22124425 0.88 PTK6 (0.45) MAPKAPK5PTK6PIK3CDAURKBTTK

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 8 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-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-26 — — US disclosed
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US disclosed
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US disclosed
US-20230012368-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 (4 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-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 MAPKAPK5 728/4885PTK6 2201/4885EPHA2 4699/4885
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 MAPKAPK5 695/4885PTK6 2141/4885EPHA2 4711/4885
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IL4, RPS4Y1, RPS4X MAPKAPK5 516/4885PTK6 1818/4885EPHA2 4665/4885
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 MAPKAPK5 647/4885PTK6 2211/4885EPHA2 4729/4885

“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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