SCHEMBL22122916

SCHEMBL22122916

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N(C)CCN)cc4)nccn23)cc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 15/20 0.49
▸ MAPKAPK5 Q8IW41 2/20 0.46
▸ AURKA O14965 1/20 0.43
▸ SRC P12931 1/20 0.39
▸ DRD2 P14416 1/20 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
SCHEMBL22123020 0.95 TTK (0.47) TTKMAPKAPK5AURKASRC
Hydrochloric Acid SCHEMBL30171956 0.94 TTK (0.47) TTKMAPKAPK5AURKASRC
SCHEMBL22122974 0.92 TTK (0.49) TTKMAPKAPK5AURKASRCDRD2
SCHEMBL22122883 0.89 TTK (0.42) TTKMAPKAPK5AURKASRC
SCHEMBL22122900 0.88 TTK (0.54) TTKMAPKAPK5AURKASRC
SCHEMBL22122895 0.86 TTK (0.52) TTKMAPKAPK5AURKASRC
SCHEMBL22122902 0.85 TTK (0.41) TTKMAPKAPK5AURKA
Hydrochloric Acid SCHEMBL30171852 0.84 TTK (0.40) TTKMAPKAPK5AURKA
SCHEMBL22124824 0.83 TTK (0.39) TTKMAPKAPK5AURKA
Hydrochloric Acid SCHEMBL30171881 0.82 TTK (0.39) TTKMAPKAPK5AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP claimed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO claimed
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 — — US 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
US-9434975-B2 Fluorogenic or fluorophoric compounds and uses thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-09-06 — — 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 (2 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-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 TTK 4546/4885MAPKAPK5 728/4885AURKA 1887/4885
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 TTK 4482/4885MAPKAPK5 647/4885AURKA 1987/4885

“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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