SCHEMBL22123797

SCHEMBL22123797

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCCCCCN5CCNCC5)c(C)c4)nccn23)cc1F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 4/20 0.45
▸ TTK P33981 7/20 0.45
▸ AURKB Q96GD4 2/20 0.42
▸ MAPKAPK5 Q8IW41 1/20 0.42
▸ HTR1A P08908 3/20 0.39
▸ DRD2 P14416 3/20 0.39
▸ DRD4 P21917 3/20 0.39
▸ DRD3 P35462 3/20 0.39
▸ HTR2A P28223 2/20 0.39
▸ HTR2C P28335 2/20 0.39
▸ HTR2B P41595 2/20 0.39
▸ CD274 Q9NZQ7 1/20 0.39
▸ EGFR P00533 3/20 0.38
▸ ADRA1D P25100 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ADRA1B P35368 1/20 0.38
▸ QPCT Q16769 1/20 0.38

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
SCHEMBL30183184 0.97 TTK (0.46) PTK6TTKAURKBMAPKAPK5CD274
SCHEMBL22122944 0.95 PTK6 (0.47) PTK6TTKAURKBMAPKAPK5CD274
SCHEMBL22124775 0.93 PTK6 (0.45) PTK6TTKAURKBMAPKAPK5CD274
SCHEMBL22123500 0.92 MAPKAPK5 (0.49) TTKMAPKAPK5CD274
SCHEMBL25444479 0.90 PTK6 (0.42) PTK6TTKAURKBHTR1ADRD2
SCHEMBL30171757 0.90 TTK (0.44) PTK6TTKMAPKAPK5CD274EGFR
SCHEMBL22122828 0.90 TTK (0.44) PTK6TTKMAPKAPK5CD274EGFR
SCHEMBL22142812 0.89 TTK (0.43) PTK6TTKAURKBMAPKAPK5HTR1A
SCHEMBL22124768 0.88 TTK (0.47) PTK6TTKMAPKAPK5
SCHEMBL30349788 0.88 TTK (0.47) PTK6TTKMAPKAPK5

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-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
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 2211/4885TTK 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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