SCHEMBL22123261

SCHEMBL22123261

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N(C)CCN5CCOC(CN(C)C)C5)c(C)c4)nccn23)cc1F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK5 Q8IW41 2/20 0.42
▸ TTK P33981 5/20 0.38
▸ PTK6 Q13882 2/20 0.37
▸ EPHA2 P29317 6/20 0.36
▸ KDR P35968 6/20 0.36
▸ EPHB4 P54760 4/20 0.36
▸ ERBB2 P04626 1/20 0.36
▸ EGFR P00533 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ AURKB Q96GD4 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ FYN P06241 1/20 0.34

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
SCHEMBL30183474 1.00 MAPKAPK5 (0.42) MAPKAPK5TTKPTK6EPHA2KDR
SCHEMBL22122945 0.94 MAPKAPK5 (0.41) MAPKAPK5TTKPTK6EPHA2KDR
SCHEMBL30403346 0.94 MAPKAPK5 (0.41) MAPKAPK5TTKPTK6EPHA2KDR
Hydrochloric Acid SCHEMBL22123929 0.94 MAPKAPK5 (0.41) MAPKAPK5TTKPTK6EPHA2KDR
SCHEMBL22123736 0.93 MAPKAPK5 (0.39) MAPKAPK5TTKPTK6EPHA2KDR
SCHEMBL30193289 0.93 MAPKAPK5 (0.39) MAPKAPK5TTKPTK6EPHA2KDR
SCHEMBL22124850 0.90 MAPKAPK5 (0.41) MAPKAPK5TTKPTK6EPHA2KDR
SCHEMBL30172085 0.88 MAPKAPK5 (0.43) MAPKAPK5TTKPTK6KDRSYK
SCHEMBL22124394 0.88 MAPKAPK5 (0.43) MAPKAPK5TTKPTK6KDRSYK
SCHEMBL22124066 0.88 MAPKAPK5 (0.45) MAPKAPK5TTKPTK6EPHA2KDR

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP claimed
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 — — US claimed
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
EP-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 — — EP disclosed
US-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-26 — — US disclosed
US-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-26 — — US disclosed
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — 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-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US disclosed
EP-3898629-B1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
WO-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020127075-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020126954-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020126956-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020126954-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020126956-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020127075-A1 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 (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 728/4885TTK 4546/4885PTK6 2201/4885
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 MAPKAPK5 695/4885TTK 4573/4885PTK6 2141/4885
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IL4, RPS4Y1, RPS4X MAPKAPK5 516/4885TTK 4519/4885PTK6 1818/4885
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 MAPKAPK5 647/4885TTK 4482/4885PTK6 2211/4885

“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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