SCHEMBL22124608

SCHEMBL22124608

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCCOCCN)c(CC(F)F)c4)nccn23)cc1F

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK5 Q8IW41 1/20 0.41
▸ SYK P43405 4/20 0.39
▸ PTK6 Q13882 3/20 0.39
▸ TTK P33981 10/20 0.38
▸ BRAF P15056 1/20 0.35
▸ AURKB Q96GD4 2/20 0.35
▸ GPR52 Q9Y2T5 1/20 0.34

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
SCHEMBL30349998 1.00 MAPKAPK5 (0.41) MAPKAPK5SYKPTK6TTKBRAF
SCHEMBL22123695 0.90 SYK (0.34) MAPKAPK5SYKPTK6TTKBRAF
SCHEMBL30183405 0.90 SYK (0.34) MAPKAPK5SYKPTK6TTKBRAF
SCHEMBL22124907 0.90 TTK (0.46) MAPKAPK5SYKPTK6TTKBRAF
SCHEMBL22124602 0.89 PTK6 (0.47) MAPKAPK5SYKPTK6TTKBRAF
Hydrochloric Acid SCHEMBL30171711 0.89 TTK (0.45) MAPKAPK5SYKPTK6TTKBRAF
Hydrochloric Acid SCHEMBL22123324 0.89 PTK6 (0.46) MAPKAPK5SYKPTK6TTKBRAF
SCHEMBL22124581 0.85 TTK (0.45) MAPKAPK5SYKPTK6TTKBRAF
SCHEMBL24940086 0.84 TTK (0.46) MAPKAPK5SYKPTK6TTKBRAF
SCHEMBL22124597 0.84 SYK (0.37) MAPKAPK5SYKPTK6TTKBRAF

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 9 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
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US 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 MAPKAPK5 695/4885SYK 939/4885PTK6 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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