SCHEMBL22123726

SCHEMBL22123726

CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)NCCCCCCCN

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 4/20 0.36
▸ TTK P33981 4/20 0.36
▸ MAPKAPK5 Q8IW41 1/20 0.35
▸ AXL P30530 2/20 0.35
▸ PTK6 Q13882 1/20 0.35
▸ ZAP70 P43403 2/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ PTK2 Q05397 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ PDE4B Q07343 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ PDE5A O76074 1/20 0.32
▸ KARS1 Q15046 1/20 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
SCHEMBL22123913 1.00 SYK (0.36) SYKTTKMAPKAPK5AXLPTK6
SCHEMBL22123449 1.00 SYK (0.36) SYKTTKMAPKAPK5AXLPTK6
SCHEMBL22123676 1.00 SYK (0.36) SYKTTKMAPKAPK5AXLPTK6
Hydrochloric Acid SCHEMBL30171665 0.99 SYK (0.36) SYKTTKMAPKAPK5AXLPTK6
Hydrochloric Acid SCHEMBL30171598 0.99 SYK (0.36) SYKTTKMAPKAPK5AXLPTK6
Hydrochloric Acid SCHEMBL30171693 0.99 SYK (0.36) SYKTTKMAPKAPK5AXLPTK6
Hydrochloric Acid SCHEMBL30171871 0.99 SYK (0.36) SYKTTKMAPKAPK5AXLPTK6
SCHEMBL22160344 0.99 SYK (0.37) SYKTTKMAPKAPK5AXLPTK6
Hydrochloric Acid SCHEMBL30172029 0.99 SYK (0.36) SYKTTKMAPKAPK5AXLPTK6
SCHEMBL22123309 0.97 TTK (0.38) SYKTTKMAPKAPK5AXLPTK6

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
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

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 SYK 954/4885TTK 4482/4885MAPKAPK5 647/4885

“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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