SCHEMBL22123534

SCHEMBL22123534

CCc1cc(Nc2nccn3c(-c4ccc(OC(F)F)c(F)c4F)cnc23)ccc1C(=O)N[C@@H](C)CNC(=O)C1CCN(CC2CNC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 1/20 0.33
▸ TTK P33981 3/20 0.32
▸ JAK2 O60674 2/20 0.32
▸ JAK1 P23458 2/20 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
SCHEMBL22123535 1.00 PTK6 (0.33) PTK6TTKJAK2JAK1
Formic Acid SCHEMBL30171767 0.98 PTK6 (0.32) PTK6TTKJAK2JAK1
SCHEMBL22123824 0.92 PTK6 (0.37) PTK6TTKJAK2JAK1
SCHEMBL22123823 0.92 PTK6 (0.37) PTK6TTKJAK2JAK1
SCHEMBL30385502 0.92 PTK6 (0.37) PTK6TTKJAK2JAK1
SCHEMBL28982170 0.91 JAK2 (0.33) PTK6TTKJAK2JAK1
SCHEMBL28982168 0.91 JAK2 (0.33) PTK6TTKJAK2JAK1
Formic Acid SCHEMBL30171911 0.90 PTK6 (0.36) PTK6TTKJAK2JAK1
SCHEMBL25176001 0.90 — —
Trifluoroacetic Acid SCHEMBL28982197 0.90 — —

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 5 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
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 2211/4885TTK 4482/4885JAK2 191/4885

“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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