SCHEMBL22124769

SCHEMBL22124769

Cc1cc(Nc2nccn3c(-c4ccc(Cl)c(F)c4F)cnc23)ccc1C(=O)NCCNCCN

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 5/20 0.40
▸ PTK6 Q13882 3/20 0.39
▸ BRAF P15056 1/20 0.37
▸ MAPKAPK5 Q8IW41 1/20 0.37
▸ IDO1 P14902 5/20 0.36
▸ CDK2 P24941 3/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TGFBR1 P36897 1/20 0.33
▸ ACVRL1 P37023 1/20 0.33

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
SCHEMBL22123704 0.95 TTK (0.42) TTKPTK6BRAFMAPKAPK5IDO1
SCHEMBL22122965 0.94 TTK (0.41) TTKPTK6BRAFMAPKAPK5IDO1
SCHEMBL22124739 0.93 TTK (0.40) TTKPTK6BRAFMAPKAPK5IDO1
SCHEMBL30171958 0.93 TTK (0.40) TTKPTK6BRAFMAPKAPK5IDO1
SCHEMBL30349921 0.93 TTK (0.40) TTKPTK6BRAFMAPKAPK5IDO1
SCHEMBL24870788 0.93 TTK (0.40) TTKPTK6BRAFMAPKAPK5IDO1
SCHEMBL22124811 0.90 PTK6 (0.39) TTKPTK6BRAFMAPKAPK5IDO1
SCHEMBL22123059 0.86 PTK6 (0.39) TTKPTK6BRAFMAPKAPK5IDO1
SCHEMBL22124692 0.86 TTK (0.47) TTKPTK6MAPKAPK5
SCHEMBL22122989 0.85 TTK (0.41) TTKPTK6BRAFMAPKAPK5IDO1

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 4573/4885PTK6 2141/4885BRAF 955/4885

“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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