SCHEMBL22123532

SCHEMBL22123532

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCCCCCCN)c(Cl)c4)nccn23)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 2/20 0.42
▸ LRRK2 Q5S007 2/20 0.39
▸ BCL6 P41182 3/20 0.38
▸ SYK P43405 3/20 0.36
▸ STK17B O94768 1/20 0.36
▸ STK17A Q9UEE5 1/20 0.36
▸ TTK P33981 1/20 0.36
▸ MAPKAPK5 Q8IW41 1/20 0.35
▸ PDE5A O76074 1/20 0.35
▸ IGF1R P08069 1/20 0.35
▸ ZAP70 P43403 1/20 0.34
▸ ALK Q9UM73 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 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
SCHEMBL22123658 1.00 PTK6 (0.42) PTK6LRRK2BCL6SYKSTK17B
SCHEMBL22123365 1.00 PTK6 (0.42) PTK6LRRK2BCL6SYKSTK17B
Hydrochloric Acid SCHEMBL30171588 0.99 PTK6 (0.41) PTK6LRRK2BCL6SYKSTK17B
Hydrochloric Acid SCHEMBL30171873 0.99 PTK6 (0.41) PTK6LRRK2BCL6SYKSTK17B
Hydrochloric Acid SCHEMBL30171924 0.99 PTK6 (0.41) PTK6LRRK2BCL6SYKSTK17B
SCHEMBL22124504 0.99 PTK6 (0.42) PTK6LRRK2BCL6SYKSTK17B
Hydrochloric Acid SCHEMBL30171699 0.99 PTK6 (0.42) PTK6LRRK2BCL6SYKSTK17B
SCHEMBL22123010 0.92 TTK (0.39) PTK6LRRK2SYKTTKMAPKAPK5
SCHEMBL22123018 0.92 TTK (0.39) PTK6LRRK2SYKTTKMAPKAPK5
SCHEMBL22123423 0.92 TTK (0.39) PTK6LRRK2SYKTTKMAPKAPK5

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
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 PTK6 2211/4885LRRK2 2383/4885BCL6 4009/4885

“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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