SCHEMBL22122889

SCHEMBL22122889

COc1ccc(-c2cnc3c(Nc4cc(F)c(C(=O)NCCCN)c(F)c4)nccn23)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ZAP70 P43403 12/20 0.42
▸ SYK P43405 5/20 0.42
▸ PTK2 Q05397 3/20 0.40
▸ TTK P33981 2/20 0.40
▸ KARS1 Q15046 10/20 0.38
▸ LRRK2 Q5S007 2/20 0.36
▸ MAPKAPK5 Q8IW41 1/20 0.34

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
SCHEMBL22122949 0.95 ZAP70 (0.40) ZAP70SYKPTK2TTKKARS1
SCHEMBL22122866 0.95 ZAP70 (0.40) ZAP70SYKPTK2TTKKARS1
SCHEMBL30171543 0.95 ZAP70 (0.40) ZAP70SYKPTK2TTKKARS1
Formic Acid SCHEMBL30171996 0.93 ZAP70 (0.39) ZAP70SYKPTK2TTKKARS1
SCHEMBL22125062 0.92 ZAP70 (0.37) ZAP70SYKPTK2TTKKARS1
SCHEMBL22123380 0.91 ZAP70 (0.39) ZAP70SYKPTK2TTKKARS1
SCHEMBL30171548 0.91 ZAP70 (0.39) ZAP70SYKPTK2TTKKARS1
SCHEMBL22122955 0.88 TTK (0.40) ZAP70SYKTTKLRRK2MAPKAPK5
SCHEMBL24916638 0.88 PDE10A (0.35) ZAP70SYKPTK2TTKKARS1
SCHEMBL22124722 0.88 PDE10A (0.35) ZAP70SYKPTK2TTKKARS1

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
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

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 ZAP70 623/4885SYK 954/4885PTK2 4090/4885

“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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