SCHEMBL22123753

SCHEMBL22123753

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N(C)CCN(C)C)cc4)nccn23)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 7/20 0.44
▸ PTK6 Q13882 1/20 0.42
▸ AURKA O14965 1/20 0.41
▸ IKBKB O14920 1/20 0.41
▸ MAPKAPK5 Q8IW41 2/20 0.40
▸ BRAF P15056 1/20 0.39
▸ PDE4B Q07343 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ IGF1R P08069 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ RAD52 P43351 1/20 0.38
▸ FYN P06241 2/20 0.38
▸ TLR9 Q9NR96 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37

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
SCHEMBL22122938 0.90 TTK (0.47) TTKPTK6AURKAMAPKAPK5BRAF
SCHEMBL30171661 0.90 TTK (0.47) TTKPTK6AURKAMAPKAPK5BRAF
SCHEMBL22122820 0.90 TTK (0.45) TTKPTK6AURKAMAPKAPK5BRAF
SCHEMBL30171562 0.90 TTK (0.45) TTKPTK6AURKAMAPKAPK5BRAF
SCHEMBL22122904 0.87 FYN (0.52) TTKIKBKBRAD52FYN
SCHEMBL30172068 0.87 FYN (0.52) TTKIKBKBRAD52FYN
SCHEMBL22139065 0.85 MAPKAPK5 (0.54) TTKPTK6MAPKAPK5EGFR
SCHEMBL30172072 0.84 TTK (0.52) TTKPTK6AURKAMAPKAPK5BRAF
SCHEMBL22122908 0.84 TTK (0.52) TTKPTK6AURKAMAPKAPK5BRAF
SCHEMBL22154474 0.84 TTK (0.50) TTKPTK6MAPKAPK5BRAF

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 12 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 disclosed
US-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-26 — — US disclosed
US-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-26 — — US disclosed
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US disclosed
US-20230013602-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
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US disclosed
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 — — US disclosed
US-20230011869-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 (5 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-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 TTK 4546/4885PTK6 2201/4885AURKA 1887/4885
US-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 TTK 4546/4885PTK6 2201/4885AURKA 1887/4885
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 TTK 4573/4885PTK6 2141/4885AURKA 1932/4885
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IL4, RPS4Y1, RPS4X TTK 4519/4885PTK6 1818/4885AURKA 1546/4885
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 TTK 4482/4885PTK6 2211/4885AURKA 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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