SCHEMBL22122895

SCHEMBL22122895

CCN(CC)C(=O)c1ccc(Nc2nccn3c(-c4ccc(OC)cc4)cnc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 14/20 0.52
▸ MAPKAPK5 Q8IW41 1/20 0.47
▸ AURKA O14965 1/20 0.44
▸ SRC P12931 1/20 0.43
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41

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
SCHEMBL22122900 0.90 TTK (0.54) TTKMAPKAPK5AURKASRCTSHR
SCHEMBL24870730 0.89 TTK (0.44) TTKMAPKAPK5AURKASRC
SCHEMBL30171879 0.89 TTK (0.44) TTKMAPKAPK5AURKASRC
SCHEMBL22122974 0.86 TTK (0.49) TTKMAPKAPK5AURKASRC
SCHEMBL22122820 0.86 TTK (0.45) TTKMAPKAPK5AURKASRCLMNA
SCHEMBL30171562 0.86 TTK (0.45) TTKMAPKAPK5AURKASRCLMNA
SCHEMBL22122916 0.86 TTK (0.49) TTKMAPKAPK5AURKASRC
SCHEMBL22123020 0.84 TTK (0.47) TTKMAPKAPK5AURKASRC
Hydrochloric Acid SCHEMBL30171956 0.84 TTK (0.47) TTKMAPKAPK5AURKASRC
SCHEMBL24105222 0.83 AURKA (0.47) TTKMAPKAPK5AURKASRCHPGD

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-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
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
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS 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-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 TTK 4482/4885MAPKAPK5 647/4885AURKA 1987/4885

“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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