SCHEMBL25811518

SCHEMBL25811518

Cc1ccc([C@@H](COc2ncc(Br)cc2Br)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 8/20 0.45
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
CTSS P25774 2/20 0.34
CTSK P43235 2/20 0.34
CTSB P07858 1/20 0.34
LMNA P02545 2/20 0.33
JAK2 O60674 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TRPA1 O75762 1/20 0.33
GPR139 Q6DWJ6 1/20 0.33
GAA P10253 1/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 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
SCHEMBL28995636 1.00 AAK1 (0.45) AAK1PPARGPPARAALDH1A1MAPT
SCHEMBL25301085 0.87 KEAP1 (0.36) AAK1ALDH1A1LMNAHTTKMT2A
SCHEMBL25301084 0.87 KEAP1 (0.36) AAK1ALDH1A1LMNAHTTKMT2A
SCHEMBL25811104 0.81 AAK1 (0.50) AAK1CTSSCTSKCTSBKMT2A
SCHEMBL25811855 0.80 S1PR3 (0.47) AAK1ALDH1A1MAPTCTSSCTSK
SCHEMBL28995534 0.80 S1PR3 (0.47) AAK1ALDH1A1MAPTCTSSCTSK
SCHEMBL25811427 0.79 AAK1 (0.47) AAK1ALDH1A1MAPTCTSSCTSK
SCHEMBL28995608 0.79 AAK1 (0.47) AAK1ALDH1A1MAPTCTSSCTSK
SCHEMBL25807450 0.78 AAK1 (0.61) AAK1MAPTLMNAGAAXBP1
SCHEMBL28995634 0.77 AAK1 (0.38) AAK1ALDH1A1MAPTHTTKMT2A

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-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

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 506/4885PPARG 4263/4885PPARA 4374/4885
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 293/4885PPARG 3865/4885PPARA 3753/4885

“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.