SCHEMBL22123494

SCHEMBL22123494

Cc1cc(Nc2nccn3c(-c4ccc(Cl)c(F)c4F)cnc23)ccc1C(=O)NCC1CCN(C)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 5/20 0.42
▸ PTK6 Q13882 2/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ BRD4 O60885 4/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ BRDT Q58F21 1/20 0.38
▸ CDK1 P06493 2/20 0.38
▸ CDK2 P24941 2/20 0.38
▸ ERN1 O75460 1/20 0.37
▸ MAPK14 Q16539 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAPK7 Q13164 1/20 0.36
▸ NTRK1 P04629 1/20 0.36

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
SCHEMBL30171737 1.00 TTK (0.42) TTKPTK6CNR2BRD4JAK2
SCHEMBL30172086 0.93 TTK (0.44) TTKPTK6BRD4JAK2JAK1
SCHEMBL22123079 0.93 TTK (0.44) TTKPTK6BRD4JAK2JAK1
SCHEMBL22124197 0.92 PTK6 (0.45) TTKPTK6CNR2
SCHEMBL22123504 0.90 TTK (0.42) TTKPTK6BRD4CDK1CDK2
SCHEMBL30172064 0.90 TTK (0.42) TTKPTK6BRD4CDK1CDK2
SCHEMBL30171836 0.85 TTK (0.47) TTKPTK6
SCHEMBL22123076 0.85 TTK (0.47) TTKPTK6
SCHEMBL22123704 0.85 TTK (0.42) TTKPTK6CDK1CDK2KDM4E
SCHEMBL22154766 0.84 PTK6 (0.41) TTKPTK6CNR2KDM4EGAA

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-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
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 TTK 4482/4885PTK6 2211/4885CNR2 2484/4885

“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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