SCHEMBL22123766

SCHEMBL22123766

Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)N(C)CCN1CCOC(C)(C)C1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK5 Q8IW41 3/20 0.37
▸ TTK P33981 11/20 0.37
▸ PTK6 Q13882 1/20 0.36
▸ AURKA O14965 2/20 0.35
▸ CNR2 P34972 2/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33

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
SCHEMBL22123812 0.91 MAPKAPK5 (0.44) MAPKAPK5TTKPTK6AURKACNR2
SCHEMBL22123377 0.88 TTK (0.40) MAPKAPK5TTKPTK6AURKA
SCHEMBL22123719 0.87 PTK6 (0.46) MAPKAPK5TTKPTK6AURKAAURKB
SCHEMBL30171591 0.87 MAPKAPK5 (0.43) MAPKAPK5TTKPTK6AURKACNR2
SCHEMBL22160299 0.87 MAPKAPK5 (0.43) MAPKAPK5TTKPTK6AURKACNR2
SCHEMBL24870981 0.86 TTK (0.40) MAPKAPK5TTKPTK6AURKACNR2
SCHEMBL30171596 0.86 TTK (0.40) MAPKAPK5TTKPTK6AURKACNR2
SCHEMBL22123796 0.85 TTK (0.40) MAPKAPK5TTKPTK6AURKA
SCHEMBL22139078 0.85 TTK (0.42) MAPKAPK5TTKPTK6AURKA
SCHEMBL30171633 0.85 TTK (0.42) MAPKAPK5TTKPTK6AURKA

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-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
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
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 MAPKAPK5 647/4885TTK 4482/4885PTK6 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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