SCHEMBL22123049

SCHEMBL22123049

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCC5(O)CNC5)c(C)c4)nccn23)cc1F

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 13/20 0.46
▸ MAPKAPK5 Q8IW41 2/20 0.44
▸ PTK6 Q13882 3/20 0.43
▸ AURKB Q96GD4 2/20 0.40
▸ SYK P43405 2/20 0.39

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
SCHEMBL30171599 0.97 TTK (0.45) TTKMAPKAPK5PTK6AURKBSYK
SCHEMBL24870863 0.97 TTK (0.45) TTKMAPKAPK5PTK6AURKBSYK
SCHEMBL22123099 0.94 TTK (0.46) TTKMAPKAPK5PTK6AURKBSYK
SCHEMBL22122929 0.89 TTK (0.46) TTKMAPKAPK5PTK6AURKBSYK
SCHEMBL22123900 0.88 PTK6 (0.46) TTKMAPKAPK5PTK6AURKB
SCHEMBL22124218 0.86 TTK (0.51) TTKMAPKAPK5PTK6AURKB
SCHEMBL22124379 0.86 TTK (0.49) TTKMAPKAPK5PTK6AURKBSYK
SCHEMBL30171837 0.86 TTK (0.49) TTKMAPKAPK5PTK6AURKBSYK
SCHEMBL22122944 0.85 PTK6 (0.47) TTKMAPKAPK5PTK6AURKB
SCHEMBL30349717 0.85 TTK (0.47) TTKMAPKAPK5PTK6AURKBSYK

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-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP 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-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
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 TTK 4482/4885MAPKAPK5 647/4885PTK6 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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