SCHEMBL25447060

SCHEMBL25447060

NCc1ccc(Nc2nccn3c(-c4ccccc4)cnc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 4/20 0.54
▸ BRAF P15056 1/20 0.49
▸ AURKA O14965 2/20 0.45
▸ FYN P06241 1/20 0.45
▸ MAPKAPK5 Q8IW41 5/20 0.44
▸ SRC P12931 1/20 0.43
▸ AURKB Q96GD4 1/20 0.42
▸ PTK2 Q05397 4/20 0.41
▸ FLT3 P36888 2/20 0.41

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
SCHEMBL25447053 0.88 TTK (0.54) TTKAURKAFYNMAPKAPK5SRC
SCHEMBL25447222 0.84 TTK (0.57) TTKAURKAFYNMAPKAPK5SRC
SCHEMBL25447058 0.83 TTK (0.57) TTKAURKAFYNMAPKAPK5SRC
SCHEMBL3466981 0.81 SRC (0.56) TTKAURKAFYNMAPKAPK5SRC
SCHEMBL12409302 0.79 TTK (0.66) TTKBRAFAURKAFYNMAPKAPK5
SCHEMBL14767444 0.79 TTK (0.54) TTKBRAFAURKAFYNMAPKAPK5
SCHEMBL25444178 0.78 PTK6 (0.42) TTKAURKAFYNMAPKAPK5AURKB
SCHEMBL14536959 0.76 TTK (0.54) TTKAURKAFYNMAPKAPK5SRC
SCHEMBL5411598 0.76 TTK (0.68) TTKFLT3
SCHEMBL3471147 0.76 MAPK1 (0.56) TTKBRAFAURKAFYNSRC

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-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-05-11 — — 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-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES XDH, MYD88, IKZF3 TTK 4157/4885BRAF 1177/4885AURKA 2897/4885

“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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