SCHEMBL22124577

SCHEMBL22124577

CCc1cc(Nc2nccn3c(-c4ccc(OC(F)F)c(F)c4F)cnc23)ccc1C(=O)NCCNCCN

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK5 Q8IW41 1/20 0.34
▸ PTK6 Q13882 1/20 0.34
▸ P2RX3 P56373 2/20 0.33
▸ TTK P33981 7/20 0.33
▸ CDK2 P24941 2/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ IDO1 P14902 4/20 0.32
▸ BACE1 P56817 1/20 0.31
▸ BACE2 Q9Y5Z0 1/20 0.31
▸ TGFBR1 P36897 1/20 0.31
▸ ACVRL1 P37023 1/20 0.31
▸ SYK P43405 1/20 0.31

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
SCHEMBL30349936 0.94 P2RX3 (0.35) MAPKAPK5PTK6P2RX3TTKCDK2
SCHEMBL22124843 0.94 P2RX3 (0.35) MAPKAPK5PTK6P2RX3TTKCDK2
SCHEMBL22122968 0.94 MAPKAPK5 (0.35) MAPKAPK5PTK6P2RX3TTKCDK2
SCHEMBL22123047 0.94 MAPKAPK5 (0.35) MAPKAPK5PTK6P2RX3TTKCDK2
Hydrochloric Acid SCHEMBL30171953 0.93 MAPKAPK5 (0.34) MAPKAPK5PTK6P2RX3TTKCDK2
SCHEMBL22123470 0.93 MAPKAPK5 (0.34) MAPKAPK5PTK6P2RX3TTKCDK2
Hydrochloric Acid SCHEMBL25170362 0.93 MAPKAPK5 (0.34) MAPKAPK5PTK6P2RX3TTKCDK2
SCHEMBL25445314 0.93 MAPKAPK5 (0.35) MAPKAPK5PTK6P2RX3TTKCDK2
SCHEMBL22124383 0.92 SYK (0.36) MAPKAPK5PTK6TTKIDO1SYK
SCHEMBL30349791 0.92 SYK (0.36) MAPKAPK5PTK6TTKIDO1SYK

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-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 — — EP claimed
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US claimed
EP-3898630-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP claimed
CN-113195498-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2021-07-30 — — CN claimed
WO-2020126954-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO claimed
EP-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 — — EP disclosed
US-20230017532-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
EP-3898630-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
CN-113195498-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2021-07-30 — — CN disclosed
WO-2020126954-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES 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-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 MAPKAPK5 695/4885PTK6 2141/4885P2RX3 1517/4885

“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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