SCHEMBL29121705

SCHEMBL29121705

CC(C)(C)OC(=O)N1CC[C@H](n2nc(CO)c3cc(Br)ccc32)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.45
▸ USP30 Q70CQ3 2/20 0.44
▸ IDO1 P14902 1/20 0.41
▸ TDO2 P48775 1/20 0.41
▸ KRAS P01116 4/20 0.40
▸ GPR119 Q8TDV5 2/20 0.40
▸ FPR2 P25090 3/20 0.39
▸ SRC P12931 3/20 0.39
▸ EGFR P00533 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ PIK3CA P42336 2/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIK3R2 O00459 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ PIK3R5 Q8WYR1 1/20 0.39
▸ PIK3R3 Q92569 1/20 0.39

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
SCHEMBL30676388 1.00 BTK (0.45) BTKUSP30IDO1TDO2KRAS
SCHEMBL29121569 1.00 BTK (0.45) BTKUSP30IDO1TDO2KRAS
SCHEMBL29121565 1.00 BTK (0.45) BTKUSP30IDO1TDO2KRAS
SCHEMBL30676570 1.00 BTK (0.45) BTKUSP30IDO1TDO2KRAS
SCHEMBL29121677 0.86 USP30 (0.46) BTKUSP30IDO1TDO2KRAS
SCHEMBL30676433 0.86 USP30 (0.46) BTKUSP30IDO1TDO2KRAS
SCHEMBL30676577 0.86 USP30 (0.46) BTKUSP30IDO1TDO2KRAS
SCHEMBL29122756 0.85 USP30 (0.45) BTKUSP30IDO1TDO2KRAS
SCHEMBL29122133 0.85 USP30 (0.45) BTKUSP30IDO1TDO2KRAS
SCHEMBL29122350 0.85 TEAD1 (0.37) BTKKRASFPR2EGFRCNR1

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 BTK 2885/4885USP30 2072/4885IDO1 2041/4885

“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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