SCHEMBL22124165

SCHEMBL22124165

Cc1cc(Nc2nccn3c(-c4ccc(OCC5CC5C#N)c(F)c4F)cnc23)ccc1C(=O)N1CCC(CN)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 4/20 0.39
▸ JAK2 O60674 12/20 0.36
▸ JAK1 P23458 11/20 0.36
▸ TTK P33981 2/20 0.35
▸ MAPKAPK5 Q8IW41 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ MAP3K7 O43318 1/20 0.34
▸ TAB1 Q15750 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
Formic Acid SCHEMBL30171896 0.98 PTK6 (0.37) PTK6JAK2JAK1TTKMAPKAPK5
SCHEMBL22139084 0.94 PTK6 (0.39) PTK6JAK2JAK1TTKMAPKAPK5
SCHEMBL30172050 0.91 PTK6 (0.41) PTK6JAK2JAK1TTKMAPKAPK5
SCHEMBL22124075 0.91 PTK6 (0.41) PTK6JAK2JAK1TTKMAPKAPK5
SCHEMBL22123536 0.89 PTK6 (0.40) PTK6JAK2JAK1TTKMAPKAPK5
SCHEMBL30171750 0.89 PTK6 (0.43) PTK6TTKMAPKAPK5AURKBLCK
SCHEMBL22123938 0.89 PTK6 (0.43) PTK6TTKMAPKAPK5AURKBLCK
SCHEMBL22124183 0.88 PTK6 (0.40) PTK6JAK2JAK1TTKMAPKAPK5
SCHEMBL25013237 0.88 PTK6 (0.37) PTK6JAK1TTKMAPKAPK5AURKB
SCHEMBL22123992 0.88 PTK6 (0.41) PTK6JAK2JAK1TTKMAPKAPK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3897839-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP claimed
CN-113226469-A Imidazopyrazine derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2021-08-06 — — CN claimed
WO-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO claimed
US-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-26 — — US disclosed
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US disclosed
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US disclosed
US-20230011869-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-3897839-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
CN-113226469-A Imidazopyrazine derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2021-08-06 — — CN disclosed
WO-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS 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 (5 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 2201/4885JAK2 216/4885JAK1 34/4885
US-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 PTK6 2201/4885JAK2 216/4885JAK1 34/4885
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 PTK6 2141/4885JAK2 188/4885JAK1 26/4885
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IL4, RPS4Y1, RPS4X PTK6 1818/4885JAK2 250/4885JAK1 291/4885
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 PTK6 2211/4885JAK2 191/4885JAK1 19/4885

“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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