SCHEMBL25811104

SCHEMBL25811104

CC(COc1ncc(Br)cc1Br)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 11/20 0.50
SCN9A Q15858 2/20 0.37
TRPA1 O75762 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA4 P22748 1/20 0.36
CA9 Q16790 1/20 0.36
CTSS P25774 2/20 0.35
CTSK P43235 2/20 0.35
CTSB P07858 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL28995764 0.88 TRPA1 (0.46) AAK1SCN9ATRPA1CA1CA2
SCHEMBL25813293 0.88 TRPA1 (0.46) AAK1SCN9ATRPA1CA1CA2
SCHEMBL25807450 0.86 AAK1 (0.61) AAK1SCN9A
SCHEMBL28995608 0.86 AAK1 (0.47) AAK1SCN9ATRPA1CTSSCTSK
SCHEMBL25811427 0.86 AAK1 (0.47) AAK1SCN9ATRPA1CTSSCTSK
SCHEMBL25253603 0.83 SCN9A (0.40) AAK1SCN9A
SCHEMBL30491786 0.83 AAK1 (0.44) AAK1SCN9ACTSSCTSKCTSB
SCHEMBL28995563 0.83 AAK1 (0.44) AAK1SCN9ACTSSCTSKCTSB
SCHEMBL25811382 0.83 AAK1 (0.44) AAK1SCN9ACTSSCTSKCTSB
SCHEMBL28995647 0.82 AAK1 (0.43) AAK1TRPA1CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12583866-B2 Pyrido[2,3-b][1,4]oxazines or tetrahydropyrido[2,3-b][1,4]oxazepines as IAP antagonists BEONE MEDICINES I GMBH (CH) 2026-03-24 US disclosed
US-20230219975-A1 PYRIDO[2,3-B][1,4]OXAZINES OR TETRAHYDROPYRIDO[2,3-B][1,4]OXAZEPINES AS IAP ANTAGONISTS BEONE MEDICINES I GMBH (CH) 2023-07-13 US disclosed
US-20230219975-A1 PYRIDO[2,3-B][1,4]OXAZINES OR TETRAHYDROPYRIDO[2,3-B][1,4]OXAZEPINES AS IAP ANTAGONISTS BEONE MEDICINES I GMBH (CH) 2023-07-13 US disclosed
CN-115916790-A Pyrido [2,3-b ] [1,4] oxazines or tetrahydropyrido [2,3-b ] [1,4] oxazepines as IAP antagonists 百济神州有限公司 2023-04-04 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 (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-12583866-B2 Pyrido[2,3-b][1,4]oxazines or tetrahydropyrido[2,3-b][1,4]oxazepines as IAP antagonists BIRC2, BIRC3, BIRC5 AAK1 506/4885SCN9A 918/4885TRPA1 186/4885
US-20230219975-A1 PYRIDO[2,3-B][1,4]OXAZINES OR TETRAHYDROPYRIDO[2,3-B][1,4]OXAZEPINES AS IAP ANTAGONISTS BIRC2, BIRC3, API5 AAK1 293/4885SCN9A 2882/4885TRPA1 974/4885

“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.