SCHEMBL22124754

SCHEMBL22124754

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCCOCC(=O)N5CCNCC5)c(C)c4)nccn23)cc1F

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 11/20 0.47
▸ TTK P33981 6/20 0.44
▸ AURKB Q96GD4 6/20 0.44
▸ MAPKAPK5 Q8IW41 1/20 0.41
▸ LCK P06239 4/20 0.39
▸ SYK P43405 1/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.38
▸ MKNK2 Q9HBH9 1/20 0.38

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
SCHEMBL22124920 0.96 PTK6 (0.46) PTK6TTKAURKBMAPKAPK5LCK
SCHEMBL22124725 0.91 PTK6 (0.49) PTK6TTKAURKBLCK
SCHEMBL22124775 0.90 PTK6 (0.45) PTK6TTKAURKBMAPKAPK5LCK
SCHEMBL24940086 0.89 TTK (0.46) PTK6TTKMAPKAPK5SYK
SCHEMBL22122944 0.88 PTK6 (0.47) PTK6TTKAURKBMAPKAPK5LCK
SCHEMBL22124858 0.88 MAPKAPK5 (0.41) PTK6TTKAURKBMAPKAPK5SYK
SCHEMBL22124907 0.87 TTK (0.46) PTK6TTKMAPKAPK5SYK
SCHEMBL30183184 0.87 TTK (0.46) PTK6TTKAURKBMAPKAPK5
Hydrochloric Acid SCHEMBL30171711 0.87 TTK (0.45) PTK6TTKMAPKAPK5SYK
SCHEMBL24916555 0.86 TTK (0.44) PTK6TTKMAPKAPK5SYK

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 8 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
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 PTK6 2141/4885TTK 4573/4885AURKB 3352/4885

“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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