SCHEMBL25447058

SCHEMBL25447058

CC(=O)Cc1ccc(Nc2nccn3c(-c4ccccc4)cnc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 12/20 0.57
▸ AURKA O14965 2/20 0.46
▸ MAPKAPK5 Q8IW41 2/20 0.45
▸ SRC P12931 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ PDE4B Q07343 2/20 0.41
▸ AURKB Q96GD4 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 0.85 TTK (0.54) TTKAURKAMAPKAPK5SRCFYN
SCHEMBL25447060 0.83 TTK (0.54) TTKAURKAMAPKAPK5SRCFYN
SCHEMBL25447222 0.82 TTK (0.57) TTKAURKAMAPKAPK5SRCFYN
SCHEMBL3466981 0.79 SRC (0.56) TTKAURKAMAPKAPK5SRCFYN
SCHEMBL3466056 0.79 TTK (0.57) TTKFYN
SCHEMBL12409302 0.77 TTK (0.66) TTKAURKAMAPKAPK5SRCFYN
SCHEMBL24104651 0.75 TTK (0.53) TTKAURKAMAPKAPK5
SCHEMBL25174057 0.74 TTK (0.52) TTKAURKAMAPKAPK5
SCHEMBL24105022 0.74 TTK (0.52) TTKAURKAMAPKAPK5SRCAURKB
SCHEMBL5403440 0.74 FLT3 (0.59) TTKAURKB

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 2897/4885MAPKAPK5 771/4885

“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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