SCHEMBL29121879

SCHEMBL29121879

CC(C)(C)OC(=O)NC1CC(n2nc3ccc(Br)cc3c2CO)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ JAK1 P23458 5/20 0.37
▸ CCRL2 O00421 1/20 0.37
▸ JAK2 O60674 2/20 0.37
▸ KRAS P01116 2/20 0.35
▸ KDM1A O60341 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ RAF1 P04049 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ MAP2K2 P36507 1/20 0.34
▸ MAP2K1 Q02750 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ SUV39H2 Q9H5I1 1/20 0.34
▸ AAK1 Q2M2I8 2/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ MAP4K4 O95819 2/20 0.33
▸ CFTR P13569 1/20 0.33
▸ DRD2 P14416 1/20 0.33

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
SCHEMBL29121975 0.84 L3MBTL1 (0.39) KMT2AL3MBTL1JAK1CCRL2JAK2
SCHEMBL29122435 0.82 USP30 (0.42) KRAS
SCHEMBL29122015 0.80 GPR119 (0.43) —
SCHEMBL29345204 0.79 KMT2A (0.36) KMT2AL3MBTL1JAK1CCRL2JAK2
SCHEMBL29121927 0.79 L3MBTL1 (0.36) KMT2AL3MBTL1JAK1CCRL2JAK2
SCHEMBL29121906 0.78 USP30 (0.42) JAK1JAK2EGFR
SCHEMBL29121909 0.78 USP30 (0.42) JAK1JAK2EGFR
SCHEMBL29122457 0.73 MAPT (0.38) KMT2A
SCHEMBL29121967 0.73 MAPT (0.36) KMT2A
SCHEMBL29123043 0.72 POLB (0.40) KMT2AJAK1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 — — US disclosed
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 — — US disclosed
CN-117120419-A KLK5 bicyclic heteroaromatic inhibitors 拜奥克里斯特制药公司 2023-11-24 — — 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 (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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 KLK5, KLK1, KLKB1 KMT2A 1480/4885L3MBTL1 3540/4885JAK1 3289/4885

“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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