SCHEMBL22124900

SCHEMBL22124900

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCCNCCN)c(C)c4)nccn23)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 13/20 0.46
▸ ABL1 P00519 1/20 0.41
▸ BCR P11274 1/20 0.41
▸ PTK6 Q13882 1/20 0.40
▸ MAPKAPK5 Q8IW41 2/20 0.39
▸ ZAP70 P43403 2/20 0.39
▸ SYK P43405 2/20 0.39
▸ KARS1 Q15046 1/20 0.39
▸ BRAF P15056 1/20 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
SCHEMBL22123443 0.95 TTK (0.48) TTKABL1BCRPTK6MAPKAPK5
SCHEMBL22122947 0.94 TTK (0.47) TTKABL1BCRPTK6MAPKAPK5
Hydrochloric Acid SCHEMBL30171667 0.93 TTK (0.46) TTKABL1BCRPTK6MAPKAPK5
SCHEMBL22122864 0.93 TTK (0.46) TTKABL1BCRPTK6MAPKAPK5
SCHEMBL22124678 0.93 TTK (0.46) TTKABL1BCRPTK6ZAP70
SCHEMBL22123006 0.92 TTK (0.46) TTKABL1BCRPTK6MAPKAPK5
SCHEMBL22123471 0.92 TTK (0.46) TTKABL1BCRPTK6MAPKAPK5
Hydrochloric Acid SCHEMBL30171868 0.92 TTK (0.45) TTKABL1BCRPTK6MAPKAPK5
SCHEMBL22124817 0.91 TTK (0.45) TTKPTK6MAPKAPK5
SCHEMBL22124692 0.91 TTK (0.47) TTKPTK6MAPKAPK5

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 7 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
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 TTK 4573/4885ABL1 32/4885BCR 468/4885

“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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