SCHEMBL24870855

SCHEMBL24870855

Cc1cc(Nc2nccn3c(-c4ccc(Cl)c(F)c4F)cnc23)ccc1C(=O)N[C@@H](C)CN

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 11/20 0.42
▸ PTK6 Q13882 2/20 0.40
▸ BRAF P15056 1/20 0.36
▸ MAPKAPK5 Q8IW41 1/20 0.36
▸ IDO1 P14902 3/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ KCNH2 Q12809 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
SCHEMBL30171863 1.00 TTK (0.42) TTKPTK6BRAFMAPKAPK5IDO1
SCHEMBL22122989 0.94 TTK (0.41) TTKPTK6BRAFMAPKAPK5IDO1
SCHEMBL24871020 0.90 TTK (0.41) TTKPTK6MAPKAPK5IDO1
SCHEMBL24870834 0.90 TTK (0.41) TTKPTK6MAPKAPK5IDO1
SCHEMBL22123704 0.88 TTK (0.42) TTKPTK6BRAFMAPKAPK5IDO1
SCHEMBL22122965 0.86 TTK (0.41) TTKPTK6BRAFMAPKAPK5IDO1
SCHEMBL24870837 0.86 PTK6 (0.43) TTKPTK6MAPKAPK5
SCHEMBL24870779 0.86 PTK6 (0.43) TTKPTK6MAPKAPK5
SCHEMBL24870788 0.86 TTK (0.40) TTKPTK6BRAFMAPKAPK5IDO1
SCHEMBL30171958 0.86 TTK (0.40) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 — — 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-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 TTK 4482/4885PTK6 2211/4885BRAF 1242/4885

“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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