SCHEMBL22124858

SCHEMBL22124858

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCCOCC(=O)N5CCOC(CN)C5)c(C)c4)nccn23)cc1F

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK5 Q8IW41 2/20 0.41
▸ TTK P33981 9/20 0.40
▸ PTK6 Q13882 2/20 0.37
▸ EPHA2 P29317 5/20 0.35
▸ KDR P35968 5/20 0.35
▸ EPHB4 P54760 4/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ BRDT Q58F21 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ AURKB Q96GD4 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
SCHEMBL22124719 0.97 TTK (0.41) MAPKAPK5TTKPTK6EPHA2KDR
SCHEMBL22124558 0.90 MAPKAPK5 (0.42) MAPKAPK5TTKPTK6EPHA2KDR
SCHEMBL22124754 0.88 PTK6 (0.47) MAPKAPK5TTKPTK6SYKAURKB
SCHEMBL22124907 0.85 TTK (0.46) MAPKAPK5TTKPTK6SYK
Hydrochloric Acid SCHEMBL30171711 0.85 TTK (0.45) MAPKAPK5TTKPTK6SYK
SCHEMBL30171874 0.85 MAPKAPK5 (0.42) MAPKAPK5TTKPTK6EPHA2KDR
SCHEMBL22122869 0.85 MAPKAPK5 (0.42) MAPKAPK5TTKPTK6EPHA2KDR
SCHEMBL22124191 0.84 MAPKAPK5 (0.43) MAPKAPK5TTKPTK6EPHA2KDR
SCHEMBL22124920 0.84 PTK6 (0.46) MAPKAPK5TTKPTK6BRD4BRDT
SCHEMBL24940086 0.84 TTK (0.46) MAPKAPK5TTKPTK6SYK

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 7 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
EP-3898630-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
WO-2020126954-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES 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-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 MAPKAPK5 695/4885TTK 4573/4885PTK6 2141/4885

“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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