SCHEMBL30171835

SCHEMBL30171835

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCN(C(=O)CN(C)C)CC5)c(C)c4)nccn23)cc1F

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 15/20 0.48
▸ AURKB Q96GD4 4/20 0.44
▸ MAPKAPK5 Q8IW41 1/20 0.44
▸ TTK P33981 2/20 0.41
▸ SYK P43405 2/20 0.40
▸ LCK P06239 4/20 0.39

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
SCHEMBL22125012 1.00 PTK6 (0.48) PTK6AURKBMAPKAPK5TTKSYK
SCHEMBL22124033 0.91 PTK6 (0.48) PTK6AURKBMAPKAPK5TTKSYK
SCHEMBL22125056 0.90 PTK6 (0.47) PTK6AURKBMAPKAPK5TTKSYK
SCHEMBL30172074 0.90 PTK6 (0.47) PTK6AURKBMAPKAPK5TTKSYK
SCHEMBL25450717 0.90 PTK6 (0.48) PTK6AURKBMAPKAPK5TTKSYK
Hydrochloric Acid SCHEMBL30171902 0.90 PTK6 (0.48) PTK6AURKBMAPKAPK5TTKSYK
SCHEMBL22139235 0.90 PTK6 (0.51) PTK6AURKBMAPKAPK5TTKSYK
Iodide SCHEMBL25169384 0.90 PTK6 (0.47) PTK6AURKBMAPKAPK5TTKSYK
Iodide SCHEMBL30385941 0.90 PTK6 (0.47) PTK6AURKBMAPKAPK5TTKSYK
SCHEMBL22123896 0.89 PTK6 (0.61) PTK6AURKBMAPKAPK5TTKLCK

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4161931-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-04-12 — — EP disclosed
US-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-26 — — US disclosed
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US disclosed
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US disclosed
EP-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
US-20230011869-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 PTK6 2201/4885AURKB 3265/4885MAPKAPK5 728/4885
US-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 PTK6 2201/4885AURKB 3265/4885MAPKAPK5 728/4885
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 PTK6 2141/4885AURKB 3352/4885MAPKAPK5 695/4885
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IL4, RPS4Y1, RPS4X PTK6 1818/4885AURKB 3169/4885MAPKAPK5 516/4885
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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