SCHEMBL22124855

SCHEMBL22124855

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

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 16/20 0.46
▸ BRAF P15056 1/20 0.42
▸ PTK6 Q13882 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ BCR P11274 1/20 0.40
▸ HCAR2 Q8TDS4 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
SCHEMBL22124853 0.94 TTK (0.46) TTKBRAFPTK6ABL1BCR
SCHEMBL22124906 0.94 TTK (0.46) TTKBRAFPTK6ABL1BCR
SCHEMBL22124744 0.93 TTK (0.45) TTKBRAFPTK6ABL1BCR
SCHEMBL22124721 0.93 TTK (0.45) TTKBRAFPTK6ABL1BCR
SCHEMBL22124802 0.92 TTK (0.45) TTKBRAFPTK6ABL1BCR
SCHEMBL22124934 0.92 TTK (0.45) TTKBRAFPTK6ABL1BCR
Hydrochloric Acid SCHEMBL30171610 0.92 TTK (0.45) TTKBRAFPTK6ABL1BCR
SCHEMBL22124524 0.92 TTK (0.44) TTKBRAFPTK6ABL1BCR
SCHEMBL22124781 0.91 TTK (0.44) TTKBRAFPTK6ABL1BCR
SCHEMBL22124919 0.91 TTK (0.45) TTKBRAFPTK6

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 4573/4885BRAF 955/4885PTK6 2141/4885

“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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