SCHEMBL22124685

SCHEMBL22124685

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N(C)CCOCCN5CCS(=O)(=O)CC5)c(C)c4)nccn23)cc1F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK5 Q8IW41 2/20 0.40
▸ PTK6 Q13882 3/20 0.38
▸ TTK P33981 7/20 0.37
▸ SYK P43405 3/20 0.37
▸ SRC P12931 1/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ RET P07949 2/20 0.35
▸ AURKB Q96GD4 2/20 0.35
▸ AURKA O14965 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL24917117 0.93 PTK6 (0.44) MAPKAPK5PTK6TTKSYKAURKB
SCHEMBL24916702 0.92 MAPKAPK5 (0.47) MAPKAPK5PTK6TTKRETAURKB
SCHEMBL22124669 0.92 MAPKAPK5 (0.40) MAPKAPK5PTK6TTKSYKSRC
SCHEMBL22124676 0.90 TTK (0.39) MAPKAPK5PTK6TTKSYKAURKB
SCHEMBL22124591 0.89 MAPKAPK5 (0.41) MAPKAPK5PTK6TTKSYKRET
SCHEMBL30349964 0.89 MAPKAPK5 (0.41) MAPKAPK5PTK6TTKSYKRET
SCHEMBL22125014 0.88 MAPKAPK5 (0.42) MAPKAPK5PTK6TTKSYKAURKB
SCHEMBL30349738 0.88 MAPKAPK5 (0.42) MAPKAPK5PTK6TTKSYKAURKB
SCHEMBL25170323 0.88 MAPKAPK5 (0.40) MAPKAPK5PTK6TTKSYKAURKB
SCHEMBL24112349 0.88 MAPKAPK5 (0.41) MAPKAPK5PTK6TTKSYKAURKB

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-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 — — EP claimed
EP-3898630-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP claimed
WO-2020126954-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES 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-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — 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-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 MAPKAPK5 695/4885PTK6 2141/4885TTK 4573/4885

“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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