SCHEMBL22123388

SCHEMBL22123388

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N(C)CCCCC(=O)N5CCNCC5)c(C)c4)nccn23)cc1F

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 15/20 0.47
▸ AURKB Q96GD4 7/20 0.44
▸ MAPKAPK5 Q8IW41 1/20 0.40
▸ TTK P33981 2/20 0.39
▸ LCK P06239 6/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.38
▸ MKNK2 Q9HBH9 1/20 0.38
▸ SYK P43405 1/20 0.36

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
SCHEMBL22123525 0.99 PTK6 (0.48) PTK6AURKBMAPKAPK5TTKLCK
SCHEMBL22123086 0.96 PTK6 (0.48) PTK6AURKBMAPKAPK5TTKLCK
SCHEMBL22139063 0.92 PTK6 (0.49) PTK6AURKBMAPKAPK5TTKLCK
SCHEMBL30183522 0.92 PTK6 (0.49) PTK6AURKBMAPKAPK5TTKLCK
SCHEMBL24870964 0.91 PTK6 (0.46) PTK6AURKBMAPKAPK5TTKLCK
SCHEMBL24977897 0.89 PTK6 (0.47) PTK6AURKBMAPKAPK5TTKLCK
SCHEMBL30171674 0.89 MAPKAPK5 (0.41) PTK6AURKBMAPKAPK5TTKSYK
SCHEMBL22122913 0.89 MAPKAPK5 (0.41) PTK6AURKBMAPKAPK5TTKSYK
Hydrochloric Acid SCHEMBL30171906 0.89 PTK6 (0.46) PTK6AURKBMAPKAPK5TTKLCK
SCHEMBL22122869 0.88 MAPKAPK5 (0.42) PTK6AURKBMAPKAPK5TTKSYK

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 4 patents. 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
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 — — US disclosed
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO 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 PTK6 2211/4885AURKB 3359/4885MAPKAPK5 647/4885

“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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