SCHEMBL21597716

SCHEMBL21597716

CCOc1cc(NC(=O)OC(C)(C)C)n(C)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.46
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
PKM P14618 1/20 0.38
CYP17A1 P05093 2/20 0.38
SREBF2 Q12772 1/20 0.38
BRD9 Q9H8M2 1/20 0.37
MAPK8 P45983 1/20 0.37
PTGER1 P34995 1/20 0.36
MAP4K4 O95819 1/20 0.36
CNR2 P34972 1/20 0.35
BRD4 O60885 1/20 0.35
ATR Q13535 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
MAPKAPK2 P49137 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
SCHEMBL21604145 0.88 MAPK14 (0.46) MAPK14GSK3BDYRK1APKMCYP17A1
SCHEMBL27415470 0.85 MAPK14 (0.44) MAPK14GSK3BDYRK1APKMCYP17A1
SCHEMBL21597704 0.84 MAPK14 (0.46) MAPK14GSK3BDYRK1ACYP17A1BRD9
SCHEMBL21597824 0.83 MAPK14 (0.43) MAPK14GSK3BDYRK1APKMCNR2
SCHEMBL17517053 0.82 PKM (0.49) MAPK14PKMBRD9PTGER1BRD4
SCHEMBL21604120 0.81 CACNB4 (0.43) MAPK14GSK3BDYRK1ACYP17A1BRD9
SCHEMBL6845100 0.81 MAPK14 (0.48) MAPK14GSK3BDYRK1ABRD9PTGER1
SCHEMBL28620607 0.81 MAPK14 (0.44) MAPK14GSK3BDYRK1APKMCYP17A1
SCHEMBL28626969 0.80 MAPK14 (0.43) MAPK14GSK3BDYRK1ACYP17A1BRD9
SCHEMBL25401903 0.78 MAPK14 (0.45) MAPK14CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4541794-A1 PHENYL-SUBSTITUTED DIHYDRONAPHTHYRIDINE COMPOUNDS, AND PREPARATION AND USE THEREOF Suzhong Pharmaceutical Group Co., Ltd. (CN) 2025-04-23 EP disclosed
WO-2025011008-A1 PHARMACEUTICAL PREPARATION CONTAINING PHENYL-SUBSTITUTED DIHYDRONAPHTHYRIDINE COMPOUND, AND USE THEREOF 苏中药业集团股份有限公司 2025-01-16 WO disclosed
US-12018021-B2 Thiophene derivatives for the treatment of disorders caused by IgE UCB Biopharma SRL (BE) 2024-06-25 US disclosed
US-20220332709-A1 Thiophene derivatives for the treatment of disorders caused by IgE UCB Biopharma SRL (BE) 2022-10-20 US disclosed
EP-3810606-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2021-04-28 EP disclosed
CN-112566910-A Thiophene derivatives for the treatment of IgE induced diseases UCB生物制药有限责任公司 2021-03-26 CN disclosed
WO-2019243550-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2019-12-26 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 (2 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-20220332709-A1 Thiophene derivatives for the treatment of disorders caused by IgE TSLP, CYSLTR1, CYSLTR2 MAPK14 1656/4885GSK3B 4707/4885DYRK1A 4096/4885
US-12018021-B2 Thiophene derivatives for the treatment of disorders caused by IgE TSLP, CYSLTR1, CYSLTR2 MAPK14 1656/4885GSK3B 4707/4885DYRK1A 4096/4885

“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.