SCHEMBL22125048

SCHEMBL22125048

NCCOCCN1CCOC(CN)C1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KEAP1 Q14145 1/20 0.34
▸ CHEK1 O14757 1/20 0.31
▸ DRD4 P21917 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL28682605 0.84 DRD1 (0.32) —
SCHEMBL22849679 0.82 DRD4 (0.31) DRD4
SCHEMBL24607226 0.79 — —
SCHEMBL22906423 0.79 CACNA1H (0.39) TSHRALDH1A1
Hydrochloric Acid SCHEMBL30133733 0.78 HTR4 (0.36) SMN1; SMN2KEAP1DRD4TSHRALDH1A1
SCHEMBL6695515 0.76 KDM4E (0.42) CHEK1DRD4ALDH1A1
SCHEMBL2635588 0.73 SMN1; SMN2 (0.63) SMN1; SMN2KEAP1TSHRALDH1A1
SCHEMBL1037760 0.73 DRD4 (0.36) CHEK1DRD4
SCHEMBL13355359 0.72 CYP1A2 (0.41) SMN1; SMN2KEAP1TSHRALDH1A1
SCHEMBL22479523 0.72 KEAP1 (0.40) SMN1; SMN2KEAP1DRD4

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-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
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 SMN1; SMN2 2011/4885KEAP1 1777/4885CHEK1 3381/4885

“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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