SCHEMBL22125250

SCHEMBL22125250

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCOCC5)cc4)nccn23)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK5 Q8IW41 8/20 0.59
▸ HPGD P15428 3/20 0.53
▸ TTK P33981 2/20 0.51
▸ AURKB Q96GD4 2/20 0.51
▸ AURKA O14965 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MKNK2 Q9HBH9 1/20 0.46
▸ PTK6 Q13882 2/20 0.46
▸ GRM5 P41594 1/20 0.46
▸ LCK P06239 1/20 0.46

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
SCHEMBL22125450 0.90 TTK (0.52) MAPKAPK5TTKAURKBMKNK2PTK6
SCHEMBL22125155 0.89 PTK6 (0.52) MAPKAPK5HPGDTTKAURKBAURKA
SCHEMBL30171983 0.89 PTK6 (0.52) MAPKAPK5HPGDTTKAURKBAURKA
SCHEMBL22123602 0.87 MAPKAPK5 (0.53) MAPKAPK5HPGDAURKBAURKAPOLB
SCHEMBL22125276 0.86 TTK (0.49) MAPKAPK5TTKMKNK2PTK6LCK
SCHEMBL22125448 0.83 TTK (0.51) MAPKAPK5TTKAURKAMKNK2
SCHEMBL24105040 0.82 AURKA (0.74) MAPKAPK5AURKBAURKASMN1; SMN2ALDH1A1
SCHEMBL22122900 0.82 TTK (0.54) MAPKAPK5TTKAURKAALDH1A1LCK
SCHEMBL1674386 0.81 MAPKAPK5 (0.74) MAPKAPK5AURKBAURKAPTK6LCK
SCHEMBL24105022 0.80 TTK (0.52) MAPKAPK5TTKAURKBAURKAALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3897840-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP claimed
WO-2020126956-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-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-26 — — US disclosed
EP-3897840-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
WO-2020126956-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 (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-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 MAPKAPK5 728/4885HPGD 2220/4885TTK 4546/4885

“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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