SCHEMBL25447222

SCHEMBL25447222

Cc1ccc(Nc2nccn3c(-c4ccccc4)cnc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 4/20 0.57
▸ AURKA O14965 4/20 0.50
▸ FYN P06241 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ FLT3 P36888 2/20 0.46
▸ SRC P12931 1/20 0.46
▸ AURKB Q96GD4 3/20 0.46
▸ MAPKAPK5 Q8IW41 4/20 0.44
▸ KDR P35968 1/20 0.44
▸ MAPT P10636 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ HTT P42858 1/20 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 0.86 TTK (0.54) TTKAURKAFYNSRCAURKB
SCHEMBL3466981 0.86 SRC (0.56) TTKAURKAFYNLMNAMAPK1
SCHEMBL25447060 0.84 TTK (0.54) TTKAURKAFYNFLT3SRC
SCHEMBL12409302 0.82 TTK (0.66) TTKAURKAFYNSRCAURKB
SCHEMBL25447058 0.82 TTK (0.57) TTKAURKAFYNSRCAURKB
SCHEMBL25014253 0.81 TTK (0.56) TTKAURKASRCMAPKAPK5
SCHEMBL5403440 0.81 FLT3 (0.59) TTKFLT3AURKBKDR
SCHEMBL8247273 0.79 AURKA (0.69) TTKAURKAFYNSRCAURKB
SCHEMBL14767444 0.79 TTK (0.54) TTKAURKAFYNKDM4ESRC
SCHEMBL3471147 0.79 MAPK1 (0.56) TTKAURKAFYNLMNAMAPK1

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 4157/4885AURKA 2897/4885FYN 3892/4885

“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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