SCHEMBL16896444

SCHEMBL16896444

O=C(O)NCC1CCN(c2cc(F)cc(C(=O)Nc3cnc4nc(N5CCOCC5)sc4c3)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.45
MAPK14 Q16539 14/20 0.42
PLAU P00749 1/20 0.42
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
RAF1 P04049 2/20 0.40
BRAF P15056 2/20 0.40
LRRK2 Q5S007 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 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
SCHEMBL29505200 0.90 PLAU (0.45) HRH3MAPK14PLAUMAPK13MAPK12
SCHEMBL16896364 0.90 PLAU (0.45) HRH3MAPK14PLAUMAPK13MAPK12
SCHEMBL28378947 0.90 MAPK14 (0.42) HRH3MAPK14PLAUMAPK13MAPK12
SCHEMBL30461103 0.90 MAPK14 (0.42) HRH3MAPK14PLAUMAPK13MAPK12
SCHEMBL28375017 0.87 PLAU (0.42) HRH3MAPK14PLAUMAPK13MAPK12
SCHEMBL16896433 0.85 HRH3 (0.47) HRH3CYP3A4
SCHEMBL25908403 0.82 HRH3 (0.46) HRH3MAPK14PLAUMAPK13MAPK12
SCHEMBL30429435 0.77 RAB9A (0.54) RAF1BRAFLRRK2
SCHEMBL22769539 0.76 HRH3 (0.43) HRH3RAF1BRAF
SCHEMBL30461092 0.76 HRH3 (0.43) HRH3RAF1BRAF

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 2293/4885MAPK14 193/4885PLAU 4000/4885
US-20200190112-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 HRH3 2293/4885MAPK14 193/4885PLAU 4000/4885
US-11981685-B2 Bicyclic heterocyclyl derivatives as IRAK4 inhibitors IRAK4, IRAK3, IRAK1 HRH3 2476/4885MAPK14 263/4885PLAU 4008/4885
US-20160340366-A1 BICYCLIC HETEROCYCLYL DERIVATES AS IRAK4 INHIBITORS IRAK4, IRAK1, IRAK3 HRH3 2239/4885MAPK14 145/4885PLAU 3662/4885
US-20180370988-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 HRH3 2293/4885MAPK14 193/4885PLAU 4000/4885
US-20220056046-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 HRH3 2293/4885MAPK14 193/4885PLAU 4000/4885
US-20180022758-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 HRH3 2293/4885MAPK14 193/4885PLAU 4000/4885
US-10640517-B2 Bicyclic heterocyclyl derivatives as IRAK4 inhibitors IRAK4, IRAK3, IRAK1 HRH3 2293/4885MAPK14 193/4885PLAU 4000/4885
US-20230331740-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 HRH3 2476/4885MAPK14 263/4885PLAU 4008/4885
US-10995100-B2 Bicyclic heterocyclyl derivatives as IRAK4 inhibitors IRAK4, IRAK3, IRAK1 HRH3 2293/4885MAPK14 193/4885PLAU 4000/4885

“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.