SCHEMBL22122949

SCHEMBL22122949

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

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ZAP70 P43403 7/20 0.40
▸ SYK P43405 4/20 0.40
▸ TTK P33981 5/20 0.38
▸ PTK2 Q05397 3/20 0.38
▸ KARS1 Q15046 6/20 0.36
▸ LRRK2 Q5S007 2/20 0.34
▸ IDO1 P14902 2/20 0.33

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
Formic Acid SCHEMBL30171996 0.97 ZAP70 (0.39) ZAP70SYKTTKPTK2KARS1
SCHEMBL22123380 0.95 ZAP70 (0.39) ZAP70SYKTTKPTK2KARS1
SCHEMBL30171548 0.95 ZAP70 (0.39) ZAP70SYKTTKPTK2KARS1
SCHEMBL22122889 0.95 ZAP70 (0.42) ZAP70SYKTTKPTK2KARS1
SCHEMBL22124722 0.92 PDE10A (0.35) ZAP70SYKTTKPTK2KARS1
SCHEMBL30171543 0.92 ZAP70 (0.40) ZAP70SYKTTKPTK2KARS1
SCHEMBL22122866 0.92 ZAP70 (0.40) ZAP70SYKTTKPTK2KARS1
SCHEMBL22124854 0.92 PDE10A (0.35) ZAP70SYKTTKPTK2KARS1
SCHEMBL24112394 0.91 TTK (0.34) ZAP70SYKTTKPTK2KARS1
SCHEMBL22123589 0.90 TTK (0.35) ZAP70SYKTTKKARS1IDO1

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 3 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

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 954/4885TTK 4482/4885

“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