SCHEMBL22123679

SCHEMBL22123679

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCCCCCNC(=O)OC(C)(C)C)c(C)c4)nccn23)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 11/20 0.44
▸ BRD4 O60885 5/20 0.43
▸ CSNK2A2 P19784 1/20 0.42
▸ CSNK2A1 P68400 1/20 0.42
▸ ABL1 P00519 1/20 0.39
▸ BCR P11274 1/20 0.39
▸ PTK6 Q13882 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38

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
SCHEMBL30385536 0.92 TTK (0.44) TTKBRD4CSNK2A2CSNK2A1PTK6
SCHEMBL30183333 0.91 TTK (0.47) TTKABL1BCRPTK6
SCHEMBL22123006 0.90 TTK (0.46) TTKABL1BCRPTK6
SCHEMBL22123471 0.90 TTK (0.46) TTKABL1BCRPTK6
Hydrochloric Acid SCHEMBL30171868 0.89 TTK (0.45) TTKABL1BCRPTK6
SCHEMBL22122864 0.89 TTK (0.46) TTKABL1BCRPTK6
SCHEMBL22122947 0.88 TTK (0.47) TTKABL1BCRPTK6
Hydrochloric Acid SCHEMBL30171667 0.87 TTK (0.46) TTKABL1BCRPTK6
SCHEMBL30183415 0.87 TTK (0.44) TTKABL1BCRPTK6
SCHEMBL22123443 0.86 TTK (0.48) TTKABL1BCRPTK6

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
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
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 TTK 4482/4885BRD4 596/4885CSNK2A2 215/4885

“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.

Send feedback