SCHEMBL22123048

SCHEMBL22123048

C#CCOc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCCCN)c(CC)c4)nccn23)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.40
▸ TTK P33981 6/20 0.35
▸ MAPKAPK5 Q8IW41 1/20 0.34
▸ PTK6 Q13882 1/20 0.34
▸ CDK2 P24941 2/20 0.32
▸ SYK P43405 2/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ ZAP70 P43403 1/20 0.32
▸ IDO1 P14902 4/20 0.32
▸ LRRK2 Q5S007 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
SCHEMBL30171532 0.93 MAPKAPK5 (0.34) HTR2ATTKMAPKAPK5PTK6CDK2
SCHEMBL22123290 0.93 MAPKAPK5 (0.34) HTR2ATTKMAPKAPK5PTK6CDK2
SCHEMBL30385778 0.93 HTR2A (0.35) HTR2ATTKMAPKAPK5PTK6CDK2
SCHEMBL22123844 0.93 HTR2A (0.35) HTR2ATTKMAPKAPK5PTK6CDK2
SCHEMBL22123702 0.93 TTK (0.34) HTR2ATTKMAPKAPK5PTK6CDK2
SCHEMBL24870749 0.92 TTK (0.38) HTR2ATTKMAPKAPK5PTK6CDK2
SCHEMBL30171862 0.92 TTK (0.38) HTR2ATTKMAPKAPK5PTK6CDK2
SCHEMBL22124983 0.91 HTR2A (0.37) HTR2ATTKMAPKAPK5PTK6
SCHEMBL24112580 0.91 HTR2A (0.35) HTR2ATTKMAPKAPK5PTK6CDK2
SCHEMBL22123309 0.91 TTK (0.38) TTKMAPKAPK5PTK6SYKZAP70

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 6 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
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 HTR2A 4120/4885TTK 4482/4885MAPKAPK5 647/4885

“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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