SCHEMBL22124837

SCHEMBL22124837

Cc1cc(Nc2nccn3c(-c4ccc(F)cc4F)cnc23)ccc1C(=O)NCCOCCN

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 4/20 0.40
▸ IDO1 P14902 6/20 0.39
▸ MAPKAPK5 Q8IW41 1/20 0.37
▸ BRAF P15056 1/20 0.37
▸ MAPK14 Q16539 3/20 0.36
▸ PTK6 Q13882 1/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.35
▸ ZAP70 P43403 1/20 0.35
▸ KARS1 Q15046 1/20 0.35

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
Hydrochloric Acid SCHEMBL30171533 0.99 TTK (0.40) TTKIDO1MAPKAPK5BRAFMAPK14
SCHEMBL22124766 0.92 TTK (0.39) TTKIDO1MAPKAPK5BRAFPTK6
Hydrochloric Acid SCHEMBL30171782 0.91 TTK (0.39) TTKIDO1MAPKAPK5BRAFPTK6
SCHEMBL22142794 0.91 TTK (0.40) TTKIDO1MAPKAPK5BRAFMAPK14
SCHEMBL22124702 0.91 TTK (0.40) TTKIDO1MAPKAPK5BRAFPTK6
SCHEMBL22124789 0.91 TTK (0.46) TTKIDO1MAPKAPK5BRAFPTK6
Hydrochloric Acid SCHEMBL30171637 0.90 TTK (0.40) TTKIDO1MAPKAPK5BRAFPTK6
Hydrochloric Acid SCHEMBL30171739 0.90 TTK (0.46) TTKIDO1MAPKAPK5BRAFPTK6
SCHEMBL22124811 0.89 PTK6 (0.39) TTKIDO1MAPKAPK5BRAFPTK6
SCHEMBL22124815 0.88 TTK (0.39) TTKIDO1MAPKAPK5BRAFPTK6

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 4 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
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US 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 4573/4885IDO1 299/4885MAPKAPK5 695/4885

“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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