SCHEMBL22124739

SCHEMBL22124739

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 7/20 0.40
▸ PTK6 Q13882 4/20 0.39
▸ BRAF P15056 1/20 0.36
▸ IDO1 P14902 3/20 0.35
▸ CDK2 P24941 2/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ MAPKAPK5 Q8IW41 1/20 0.34
▸ LCK P06239 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL30349921 1.00 TTK (0.40) TTKPTK6BRAFIDO1CDK2
SCHEMBL22124769 0.93 TTK (0.40) TTKPTK6BRAFIDO1CDK2
SCHEMBL22123704 0.90 TTK (0.42) TTKPTK6BRAFIDO1CDK2
SCHEMBL22122965 0.89 TTK (0.41) TTKPTK6BRAFIDO1CDK2
SCHEMBL24870788 0.88 TTK (0.40) TTKPTK6BRAFIDO1CDK2
SCHEMBL30171958 0.88 TTK (0.40) TTKPTK6BRAFIDO1CDK2
SCHEMBL22124811 0.86 PTK6 (0.39) TTKPTK6BRAFIDO1CDK2
SCHEMBL30349894 0.86 PTK6 (0.38) TTKPTK6BRAFIDO1MAPKAPK5
SCHEMBL22124683 0.86 PTK6 (0.38) TTKPTK6BRAFIDO1MAPKAPK5
SCHEMBL22123076 0.84 TTK (0.47) TTKPTK6BRAFLCK

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 6 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
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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