SCHEMBL16896576

SCHEMBL16896576

O=C(Nc1cc2sc(N3CCOCC3)nc2nc1N1CCCCC1)c1cccc(Br)n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 8/20 0.49
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
KMT2A Q03164 1/20 0.41
PTPN11 Q06124 1/20 0.41
MAPT P10636 1/20 0.41
KIF18A Q8NI77 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL29505450 1.00 IRAK4 (0.49) IRAK4RAB9ANPC1DUSP3PTPN5
SCHEMBL29505179 0.97 IRAK4 (0.46) IRAK4RAB9ANPC1DUSP3PTPN5
SCHEMBL16896339 0.97 IRAK4 (0.46) IRAK4RAB9ANPC1DUSP3PTPN5
SCHEMBL16896261 0.95 PIM1 (0.43) IRAK4RAB9AKMT2AMAPTGAA
SCHEMBL29505305 0.95 PIM1 (0.43) IRAK4RAB9AKMT2AMAPTGAA
SCHEMBL20411484 0.90 IRAK4 (0.58) IRAK4RAB9ANPC1DUSP3PTPN5
SCHEMBL20411734 0.90 IRAK4 (0.58) IRAK4RAB9ANPC1DUSP3PTPN5
SCHEMBL20411726 0.90 IRAK4 (0.58) IRAK4RAB9ANPC1DUSP3PTPN5
SCHEMBL18386784 0.85 IRAK4 (0.65) IRAK4RAB9ANPC1KIF18AGAA
SCHEMBL18387001 0.84 IRAK4 (0.46) IRAK4RAB9ANPC1DUSP3PTPN5

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250361244-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS AURIGENE ONCOLOGY LTD (IN) 2025-11-27 US disclosed
US-12410193-B2 Bicyclic heterocyclyl derivatives as IRAK4 inhibitors AURIGENE ONCOLOGY LIMITED (IN) 2025-09-09 US disclosed
US-20240294547-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2024-09-05 US disclosed
US-11981685-B2 Bicyclic heterocyclyl derivatives as IRAK4 inhibitors AURIGENE ONCOLOGY LIMITED (IN) 2024-05-14 US disclosed
EP-4353324-A2 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS Aurigene Oncology Limited (IN) 2024-04-17 EP disclosed
US-20230331740-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2023-10-19 US disclosed
US-11691987-B2 Bicyclic heterocyclyl derivatives as IRAK4 inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2023-07-04 US disclosed
US-20220056046-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2022-02-24 US disclosed
US-10995100-B2 Bicyclic heterocyclyl derivatives as IRAK4 inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2021-05-04 US disclosed
EP-3805233-A1 (R) AND (S) ENANTIOMER OF N-(5-(3-HYDROXYPYRROLIDIN-1-YL)-2-MORPHOLINOOXAZOLO[4,5-B]PYRIDIN-6-YL)-2-(2-METHYLPYRIDIN-4-YL)OXAZOLE-CARBOXAMIDE AS IRAK4 INHIBITORS FOR TREATING CANCER AND INFLAMMATORY DISEASES Aurigene Discovery Technologies Limited (IN) 2021-04-14 EP disclosed
US-20200190112-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2020-06-18 US disclosed
US-10640517-B2 Bicyclic heterocyclyl derivatives as IRAK4 inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2020-05-05 US disclosed
EP-3466955-A1 METHOD OF PREPARING OXAZOLO[4,5-B]PYRIDINE AND THIAZOLO[4,5-B]PYRIDINE DERIVATIVES AS IRAK4 INHIBITORS FOR TREATING CANCER Aurigene Discovery Technologies Limited (IN) 2019-04-10 EP disclosed
US-20180370988-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2018-12-27 US disclosed
EP-3094329-B1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS AURIGENE DISCOVERY TECH LTD (IN) 2018-09-26 EP disclosed
US-20180022758-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2018-01-25 US disclosed
US-9732095-B2 Bicyclic heterocyclyl derivatives as IRAK4 inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2017-08-15 US disclosed
US-20160340366-A1 BICYCLIC HETEROCYCLYL DERIVATES AS IRAK4 INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2016-11-24 US disclosed
EP-3094329-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS Aurigene Discovery Technologies Limited (IN) 2016-11-23 EP disclosed
WO-2015104688-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-16 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 (13 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-11691987-B2 Bicyclic heterocyclyl derivatives as IRAK4 inhibitors IRAK4, IRAK3, IRAK1 IRAK4 1/4885RAB9A 3927/4885NPC1 1258/4885
US-20240294547-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 IRAK4 1/4885RAB9A 4067/4885NPC1 1422/4885
US-20200190112-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 IRAK4 1/4885RAB9A 3927/4885NPC1 1258/4885
US-11981685-B2 Bicyclic heterocyclyl derivatives as IRAK4 inhibitors IRAK4, IRAK3, IRAK1 IRAK4 1/4885RAB9A 4067/4885NPC1 1422/4885
US-20160340366-A1 BICYCLIC HETEROCYCLYL DERIVATES AS IRAK4 INHIBITORS IRAK4, IRAK1, IRAK3 IRAK4 1/4885RAB9A 3739/4885NPC1 1097/4885
US-20180370988-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 IRAK4 1/4885RAB9A 3927/4885NPC1 1258/4885
US-20220056046-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 IRAK4 1/4885RAB9A 3927/4885NPC1 1258/4885
US-20180022758-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 IRAK4 1/4885RAB9A 3927/4885NPC1 1258/4885
US-10640517-B2 Bicyclic heterocyclyl derivatives as IRAK4 inhibitors IRAK4, IRAK3, IRAK1 IRAK4 1/4885RAB9A 3927/4885NPC1 1258/4885
US-12410193-B2 Bicyclic heterocyclyl derivatives as IRAK4 inhibitors IRAK4, IRAK3, IRAK1 IRAK4 1/4885RAB9A 4067/4885NPC1 1422/4885
US-20230331740-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 IRAK4 1/4885RAB9A 4067/4885NPC1 1422/4885
US-10995100-B2 Bicyclic heterocyclyl derivatives as IRAK4 inhibitors IRAK4, IRAK3, IRAK1 IRAK4 1/4885RAB9A 3927/4885NPC1 1258/4885
US-20250361244-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 IRAK4 1/4885RAB9A 4067/4885NPC1 1422/4885

“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.