SCHEMBL22123091

SCHEMBL22123091

CCc1cc(Nc2nccn3c(-c4ccc(Oc5ncccn5)c(F)c4F)cnc23)ccc1C(=O)NCCCNC(=O)C1CCN(CC2CCNC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 1/20 0.35
▸ TBK1 Q9UHD2 3/20 0.34
▸ TTK P33981 4/20 0.33
▸ PTK2 Q05397 5/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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 SCHEMBL30171731 0.98 PTK6 (0.34) PTK6TBK1TTKPTK2
SCHEMBL22124404 0.92 PTK6 (0.39) PTK6TBK1TTKPTK2
SCHEMBL22123484 0.92 PTK2 (0.38) PTK6TTKPTK2
SCHEMBL30183114 0.92 PTK2 (0.38) PTK6TTKPTK2
Hydrochloric Acid SCHEMBL25170428 0.92 PTK6 (0.39) PTK6TBK1TTKPTK2
SCHEMBL24112621 0.91 PTK6 (0.33) PTK6TBK1TTKPTK2
Formic Acid SCHEMBL30171877 0.90 PTK6 (0.37) PTK6TBK1TTKPTK2
Formic Acid SCHEMBL30171801 0.90 PTK2 (0.36) PTK6TTKPTK2
Formic Acid SCHEMBL25176064 0.88 PTK6 (0.32) PTK6TBK1TTK
SCHEMBL25176181 0.88 TBK1 (0.33) PTK6TBK1TTK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 — — US disclosed
WO-2021249896-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2021-12-16 — — WO 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 PTK6 2211/4885TBK1 514/4885TTK 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.

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