SCHEMBL2323385

SCHEMBL2323385

NCCOCCNC(=O)CCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.42
CA12 O43570 4/20 0.42
CA1 P00915 4/20 0.42
CA4 P22748 4/20 0.42
CA9 Q16790 4/20 0.42
CA14 Q9ULX7 4/20 0.42
KDM4E B2RXH2 3/20 0.42
KDM5C P41229 3/20 0.42
PHF8 Q9UPP1 3/20 0.42
KDM2A Q9Y2K7 3/20 0.42
EGLN1 Q9GZT9 2/20 0.39
KDM6B O15054 1/20 0.39
FOLH1 Q04609 1/20 0.39
ECE1 P42892 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 2/20 0.35
EPOR P19235 1/20 0.35
GABRR3 A8MPY1 1/20 0.35

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
SCHEMBL23157519 0.98 CA2 (0.44) CA2CA12CA1CA4CA9
SCHEMBL23157585 0.98 CA2 (0.44) CA2CA12CA1CA4CA9
SCHEMBL158484 0.98 CA2 (0.44) CA2CA12CA1CA4CA9
SCHEMBL23157565 0.98 CA2 (0.44) CA2CA12CA1CA4CA9
Trifluoroacetic Acid SCHEMBL4388146 0.91 NPY1R (0.40) CA2CA12CA1CA4CA9
SCHEMBL19172671 0.90 CA2 (0.49) CA2CA12CA1CA4CA9
SCHEMBL13581469 0.90 PHF8 (0.46) CA2CA12CA1CA4CA9
SCHEMBL23158185 0.89 CA2 (0.40) CA2CA12CA1CA4CA9
SCHEMBL17447162 0.89 CA2 (0.40) CA2CA12CA1CA4CA9
SCHEMBL15728323 0.88 CA12 (0.46) CA2CA12CA1CA4CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357307-A1 CLEAVABLE CYCLIC LOOP NUCLEOTIDES FOR NANOPORE SEQUENCING ILLUMINA, INC. 2023-11-09 US disclosed
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
EP-2352511-A2 NEUROPEPTIDE-2-RECEPTOR (Y-2R) AGONISTS AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2011-08-10 EP disclosed
US-20100179093-A1 Neoropeptide-2-Receptor (Y-2R) Agonists DANHO WALEED 2010-07-15 US disclosed
WO-2010052144-A2 NEUROPEPTIDE-2-RECEPTOR (Y-2R) AGONISTS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2010-05-14 WO disclosed
CN-101225094-A Anthraquinones tetracyclic compound having anticancer activity TIANJIN HEMEI BIOTECHNOLOGY CO (CN) 2008-07-23 CN 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 (3 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-20100179093-A1 Neoropeptide-2-Receptor (Y-2R) Agonists NPY2R, NPY1R, NPY4R CA2 2559/4885CA12 3470/4885CA1 4358/4885
US-20230357307-A1 CLEAVABLE CYCLIC LOOP NUCLEOTIDES FOR NANOPORE SEQUENCING TENT4A, TENT4B, DNTT CA2 2628/4885CA12 2524/4885CA1 2230/4885
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 CA2 3666/4885CA12 4075/4885CA1 4829/4885

“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.