SCHEMBL30349738

SCHEMBL30349738

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N(C)CCOCCN5CC6(COC6)C5)c(C)c4)nccn23)cc1F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK5 Q8IW41 2/20 0.42
▸ EGFR P00533 3/20 0.39
▸ TTK P33981 7/20 0.38
▸ SYK P43405 3/20 0.36
▸ PTK6 Q13882 2/20 0.35
▸ AURKA O14965 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ AURKB Q96GD4 1/20 0.33
▸ PDCD1 Q15116 1/20 0.32
▸ CD274 Q9NZQ7 1/20 0.32

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
SCHEMBL22125014 1.00 MAPKAPK5 (0.42) MAPKAPK5EGFRTTKSYKPTK6
SCHEMBL24916702 0.91 MAPKAPK5 (0.47) MAPKAPK5EGFRTTKPTK6AURKA
SCHEMBL24917117 0.89 PTK6 (0.44) MAPKAPK5EGFRTTKSYKPTK6
SCHEMBL30349964 0.88 MAPKAPK5 (0.41) MAPKAPK5EGFRTTKSYKPTK6
SCHEMBL22124591 0.88 MAPKAPK5 (0.41) MAPKAPK5EGFRTTKSYKPTK6
SCHEMBL22124669 0.88 MAPKAPK5 (0.40) MAPKAPK5TTKSYKPTK6AURKA
SCHEMBL22124685 0.88 MAPKAPK5 (0.40) MAPKAPK5TTKSYKPTK6AURKA
SCHEMBL22124676 0.87 TTK (0.39) MAPKAPK5TTKSYKPTK6AURKA
SCHEMBL25170323 0.87 MAPKAPK5 (0.40) MAPKAPK5TTKSYKPTK6AURKA
SCHEMBL24112349 0.87 MAPKAPK5 (0.41) MAPKAPK5TTKSYKPTK6AURKA

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-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — 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-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 MAPKAPK5 695/4885EGFR 1591/4885TTK 4573/4885

“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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