SCHEMBL16896433

SCHEMBL16896433

O=C(O)NCC1CCN(c2ccc(F)cc2C(=O)Nc2cnc3nc(N4CCOCC4)sc3c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.47
IRAK1 P51617 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNH2 Q12809 4/20 0.40
ALDH2 P05091 1/20 0.40
PIK3CD O00329 2/20 0.39
CYP3A4 P08684 2/20 0.39
PIK3CB P42338 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL29505292 0.90 HRH3 (0.47) HRH3IRAK1IRAK4MEN1HTT
SCHEMBL16896607 0.90 HRH3 (0.47) HRH3IRAK1IRAK4MEN1HTT
SCHEMBL30461092 0.90 HRH3 (0.43) HRH3IRAK1IRAK4ALDH1A1MEN1
SCHEMBL22769539 0.90 HRH3 (0.43) HRH3IRAK1IRAK4ALDH1A1MEN1
Hydrochloric Acid SCHEMBL29505368 0.89 HRH3 (0.46) HRH3IRAK1IRAK4MEN1HTT
Hydrochloric Acid SCHEMBL16896479 0.89 HRH3 (0.46) HRH3IRAK1IRAK4MEN1HTT
SCHEMBL28375412 0.87 HRH3 (0.44) HRH3IRAK1IRAK4ALDH1A1MEN1
SCHEMBL22769537 0.86 HRH3 (0.43) HRH3IRAK1IRAK4HTTKCNH2
SCHEMBL16896444 0.85 HRH3 (0.45) HRH3CYP3A4
SCHEMBL28378947 0.77 MAPK14 (0.42) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3466955-B1 METHOD OF PREPARING OXAZOLO[4,5-B]PYRIDINE AND THIAZOLO[4,5-B]PYRIDINE DERIVATIVES AS IRAK4 INHIBITORS FOR TREATING CANCER AURIGENE DISCOVERY TECH LTD (IN) 2020-12-16 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 (10 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 HRH3 2293/4885IRAK1 3/4885IRAK4 1/4885
US-20200190112-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 HRH3 2293/4885IRAK1 3/4885IRAK4 1/4885
US-11981685-B2 Bicyclic heterocyclyl derivatives as IRAK4 inhibitors IRAK4, IRAK3, IRAK1 HRH3 2476/4885IRAK1 3/4885IRAK4 1/4885
US-20160340366-A1 BICYCLIC HETEROCYCLYL DERIVATES AS IRAK4 INHIBITORS IRAK4, IRAK1, IRAK3 HRH3 2239/4885IRAK1 2/4885IRAK4 1/4885
US-20180370988-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 HRH3 2293/4885IRAK1 3/4885IRAK4 1/4885
US-20220056046-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 HRH3 2293/4885IRAK1 3/4885IRAK4 1/4885
US-20180022758-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 HRH3 2293/4885IRAK1 3/4885IRAK4 1/4885
US-10640517-B2 Bicyclic heterocyclyl derivatives as IRAK4 inhibitors IRAK4, IRAK3, IRAK1 HRH3 2293/4885IRAK1 3/4885IRAK4 1/4885
US-20230331740-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 HRH3 2476/4885IRAK1 3/4885IRAK4 1/4885
US-10995100-B2 Bicyclic heterocyclyl derivatives as IRAK4 inhibitors IRAK4, IRAK3, IRAK1 HRH3 2293/4885IRAK1 3/4885IRAK4 1/4885

“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.