SCHEMBL30172097

SCHEMBL30172097

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCC5COCCN5)c(C)c4)nccn23)cc1F

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK5 Q8IW41 2/20 0.45
▸ TTK P33981 11/20 0.44
▸ PFKFB3 Q16875 1/20 0.41
▸ PTK6 Q13882 2/20 0.39
▸ MALT1 Q9UDY8 1/20 0.37
▸ SYK P43405 2/20 0.37
▸ AURKB Q96GD4 2/20 0.36
▸ AURKA O14965 1/20 0.36

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
SCHEMBL24871004 1.00 MAPKAPK5 (0.45) MAPKAPK5TTKPFKFB3PTK6MALT1
SCHEMBL24870957 0.90 TTK (0.47) MAPKAPK5TTKPTK6SYKAURKB
SCHEMBL30171773 0.90 TTK (0.47) MAPKAPK5TTKPTK6SYKAURKB
SCHEMBL30171645 0.90 TTK (0.46) MAPKAPK5TTKPTK6
SCHEMBL22139112 0.90 TTK (0.49) MAPKAPK5TTKPTK6
SCHEMBL22123305 0.90 TTK (0.46) MAPKAPK5TTKPTK6
SCHEMBL30171555 0.90 TTK (0.49) MAPKAPK5TTKPTK6
SCHEMBL24910493 0.90 TTK (0.49) MAPKAPK5TTKPTK6
SCHEMBL24870705 0.88 TTK (0.48) MAPKAPK5TTKPTK6
SCHEMBL30172021 0.88 TTK (0.48) MAPKAPK5TTKPTK6

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 2 patents. 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 disclosed
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 — — 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-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 MAPKAPK5 647/4885TTK 4482/4885PFKFB3 3752/4885

“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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