SCHEMBL22125053

SCHEMBL22125053

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK5 Q8IW41 1/20 0.44
▸ BRAF P15056 1/20 0.43
▸ TTK P33981 12/20 0.42
▸ PTK6 Q13882 2/20 0.40
▸ SYK P43405 2/20 0.38
▸ CDK2 P24941 2/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ ZAP70 P43403 1/20 0.37
▸ KARS1 Q15046 1/20 0.37
▸ AURKB Q96GD4 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
SCHEMBL22124744 0.92 TTK (0.45) MAPKAPK5BRAFTTKPTK6
Hydrochloric Acid SCHEMBL30171610 0.92 TTK (0.45) MAPKAPK5BRAFTTKPTK6
SCHEMBL22124908 0.92 PTK6 (0.47) MAPKAPK5TTKPTK6SYKZAP70
Hydrochloric Acid SCHEMBL30172071 0.91 PTK6 (0.47) MAPKAPK5TTKPTK6SYKZAP70
SCHEMBL22124774 0.88 TTK (0.53) MAPKAPK5TTK
Hydrochloric Acid SCHEMBL30171549 0.88 TTK (0.52) MAPKAPK5TTK
SCHEMBL22124789 0.87 TTK (0.46) MAPKAPK5BRAFTTKPTK6
Hydrochloric Acid SCHEMBL30171739 0.86 TTK (0.46) MAPKAPK5BRAFTTKPTK6
SCHEMBL22124653 0.86 SYK (0.39) MAPKAPK5BRAFTTKPTK6SYK
SCHEMBL30349794 0.86 PTK6 (0.39) MAPKAPK5BRAFTTKPTK6SYK

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
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 695/4885BRAF 955/4885TTK 4573/4885

“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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