SCHEMBL22123396

SCHEMBL22123396

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCCNC(=O)N5CCN[C@@H](C(=O)O)C5)c(C)c4)nccn23)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 8/20 0.40
▸ TTK P33981 9/20 0.39
▸ AURKB Q96GD4 5/20 0.37
▸ PTK2 Q05397 1/20 0.33
▸ LCK P06239 3/20 0.33
▸ MAPKAPK5 Q8IW41 1/20 0.33
▸ SYK P43405 1/20 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
SCHEMBL24870811 1.00 PTK6 (0.40) PTK6TTKAURKBPTK2LCK
SCHEMBL30171918 1.00 PTK6 (0.40) PTK6TTKAURKBPTK2LCK
SCHEMBL22123411 0.93 PTK6 (0.40) PTK6TTKAURKBLCKMAPKAPK5
SCHEMBL24870995 0.93 PTK6 (0.40) PTK6TTKAURKBLCKMAPKAPK5
SCHEMBL30171772 0.93 PTK6 (0.40) PTK6TTKAURKBLCKMAPKAPK5
SCHEMBL30183403 0.90 PTK6 (0.47) PTK6TTKAURKBPTK2LCK
SCHEMBL22124433 0.88 PTK6 (0.44) PTK6TTKAURKBLCKMAPKAPK5
SCHEMBL30177783 0.88 PTK6 (0.44) PTK6TTKAURKBLCKMAPKAPK5
SCHEMBL30177831 0.88 PTK6 (0.44) PTK6TTKAURKBLCKMAPKAPK5
SCHEMBL22123395 0.88 PTK6 (0.39) PTK6TTKAURKBLCKMAPKAPK5

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 5 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
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 PTK6 2211/4885TTK 4482/4885AURKB 3359/4885

“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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