SCHEMBL24870834

SCHEMBL24870834

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N[C@@H](C)CN)c(C)c4)nccn23)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 9/20 0.41
▸ SYK P43405 7/20 0.38
▸ PTK6 Q13882 1/20 0.36
▸ MAPKAPK5 Q8IW41 1/20 0.35
▸ IDO1 P14902 2/20 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
SCHEMBL24871020 1.00 TTK (0.41) TTKSYKPTK6MAPKAPK5IDO1
SCHEMBL24870837 0.92 PTK6 (0.43) TTKSYKPTK6MAPKAPK5
SCHEMBL22139125 0.92 TTK (0.36) TTKSYKPTK6MAPKAPK5
SCHEMBL24870779 0.92 PTK6 (0.43) TTKSYKPTK6MAPKAPK5
SCHEMBL24910587 0.92 TTK (0.36) TTKSYKPTK6MAPKAPK5
SCHEMBL22139126 0.92 TTK (0.36) TTKSYKPTK6MAPKAPK5
Hydrochloric Acid SCHEMBL30172014 0.91 TTK (0.36) TTKSYKPTK6MAPKAPK5
Hydrochloric Acid SCHEMBL30171967 0.91 TTK (0.36) TTKSYKPTK6MAPKAPK5
SCHEMBL24870855 0.90 TTK (0.42) TTKPTK6MAPKAPK5IDO1
SCHEMBL30171863 0.90 TTK (0.42) TTKPTK6MAPKAPK5IDO1

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 4482/4885SYK 954/4885PTK6 2211/4885

“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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