SCHEMBL22139111

SCHEMBL22139111

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCCCN5CCNCC5=O)c(C)c4)nccn23)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 3/20 0.39
▸ TTK P33981 6/20 0.39
▸ AURKB Q96GD4 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PDE5A O76074 1/20 0.35
▸ IKBKB O14920 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ INSR P06213 1/20 0.34
▸ MET P08581 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ AXL P30530 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ TYRO3 Q06418 1/20 0.34
▸ MERTK Q12866 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ PTK2 Q05397 1/20 0.34
▸ FLT1 P17948 1/20 0.34
▸ FLT4 P35916 1/20 0.34
▸ KDR P35968 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
SCHEMBL30171947 1.00 PTK6 (0.39) PTK6TTKAURKBL3MBTL1PDE5A
SCHEMBL22122922 0.91 PTK6 (0.43) PTK6TTKAURKBMAPK1EGFR
SCHEMBL30171553 0.91 PTK6 (0.43) PTK6TTKAURKBMAPK1EGFR
SCHEMBL25444479 0.89 PTK6 (0.42) PTK6TTKAURKBPTK2
SCHEMBL22123763 0.88 TTK (0.39) PTK6TTKAURKBMAPK1PTK2
SCHEMBL30171778 0.88 TTK (0.39) PTK6TTKAURKBMAPK1PTK2
SCHEMBL22123977 0.88 PTK6 (0.44) PTK6TTKAURKBPTK2EGFR
SCHEMBL30171824 0.88 PTK6 (0.44) PTK6TTKAURKBPTK2EGFR
Hydrochloric Acid SCHEMBL30171690 0.87 PTK6 (0.43) PTK6TTKAURKBL3MBTL1PTK2
SCHEMBL22123603 0.87 KDM4E (0.38) PTK6TTKMAPK1KDREGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 — — EP disclosed
US-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-26 — — US disclosed
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US disclosed
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US disclosed
EP-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
EP-3898629-B1 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
WO-2020126956-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020127075-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020126954-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO 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 (4 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-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 PTK6 2201/4885TTK 4546/4885AURKB 3265/4885
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 PTK6 2141/4885TTK 4573/4885AURKB 3352/4885
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IL4, RPS4Y1, RPS4X PTK6 1818/4885TTK 4519/4885AURKB 3169/4885
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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