SCHEMBL16896608

SCHEMBL16896608

O=C(Nc1cnc2nc(N3CCOCC3)sc2c1)c1cccc(-c2cn[nH]c2)n1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 12/20 0.54
GAA P10253 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
IRAK1 P51617 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 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
SCHEMBL29505552 1.00 IRAK4 (0.54) IRAK4GAAALDH1A1HPGDHRH3
SCHEMBL16896618 0.86 IRAK4 (0.61) IRAK4GAAALDH1A1HPGDHRH3
SCHEMBL29662196 0.86 IRAK4 (0.61) IRAK4GAAALDH1A1HPGDHRH3
SCHEMBL18243749 0.85 IRAK4 (0.48) IRAK4GAAALDH1A1HPGDHRH3
SCHEMBL28376252 0.84 IRAK4 (0.49) IRAK4GAAALDH1A1HPGDHRH3
SCHEMBL16896583 0.83 IRAK4 (0.72) IRAK4IRAK1HDAC6NPC1RAB9A
SCHEMBL29505540 0.83 IRAK4 (0.72) IRAK4IRAK1HDAC6NPC1RAB9A
Hydrochloric Acid SCHEMBL16896538 0.83 IRAK4 (0.54) IRAK4IRAK1NPC1RAB9A
Hydrochloric Acid SCHEMBL29505505 0.83 IRAK4 (0.54) IRAK4IRAK1NPC1RAB9A
SCHEMBL16896463 0.83 HRH3 (0.46) IRAK4GAAALDH1A1HPGDHRH3

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 89 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 claimed
US-12178821-B2 Combination therapies for the treatment of cancer CURIS, INC. (US) 2024-12-31 US claimed
US-20240294547-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2024-09-05 US claimed
US-20230414582-A1 METHODS OF TREATING DISEASES AND DISORDERS CURIS, INC. 2023-12-28 US claimed
EP-4252853-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL DISORDERS Aurigene Oncology Limited (IN) 2023-10-04 EP claimed
EP-4248212-A1 METHODS OF TREATING DISEASES AND DISORDERS Curis, Inc. (US) 2023-09-27 EP claimed
EP-3600270-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL DISORDERS AURIGENE ONCOLOGY LTD (IN) 2023-06-14 EP claimed
US-20220339161-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL DISORDERS AURIGENE ONCOLOGY LIMITED (IN) 2022-10-27 US claimed
US-11419875-B2 Compounds and compositions for treating hematological disorders AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2022-08-23 US claimed
WO-2022108996-A1 METHODS OF TREATING DISEASES AND DISORDERS CURIS, INC. (US) 2022-05-27 WO claimed
EP-3600270-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL DISORDERS Aurigene Discovery Technologies Limited (IN) 2020-02-05 EP claimed
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 claimed
US-20180370988-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2018-12-27 US claimed
WO-2018178947-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL DISORDERS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-10-04 WO claimed
EP-3094329-B1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS AURIGENE DISCOVERY TECH LTD (IN) 2018-09-26 EP claimed
US-20180022758-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2018-01-25 US claimed
US-9732095-B2 Bicyclic heterocyclyl derivatives as IRAK4 inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2017-08-15 US claimed
US-20160340366-A1 BICYCLIC HETEROCYCLYL DERIVATES AS IRAK4 INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2016-11-24 US claimed
EP-3094329-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS Aurigene Discovery Technologies Limited (IN) 2016-11-23 EP claimed
WO-2015104688-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-16 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-20240294547-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 IRAK4 1/4885GAA 2541/4885ALDH1A1 3272/4885
US-20230414582-A1 METHODS OF TREATING DISEASES AND DISORDERS IRAK4, IRAK3, IRAK2 IRAK4 1/4885GAA 103/4885ALDH1A1 1923/4885
US-20160340366-A1 BICYCLIC HETEROCYCLYL DERIVATES AS IRAK4 INHIBITORS IRAK4, IRAK1, IRAK3 IRAK4 1/4885GAA 1854/4885ALDH1A1 2855/4885
US-20180370988-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 IRAK4 1/4885GAA 2571/4885ALDH1A1 3410/4885
US-20180022758-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 IRAK4 1/4885GAA 2571/4885ALDH1A1 3410/4885
US-11419875-B2 Compounds and compositions for treating hematological disorders IRAK4, FLT3, IRAK3 IRAK4 1/4885GAA 3302/4885ALDH1A1 1660/4885
US-12178821-B2 Combination therapies for the treatment of cancer IRAK4, IRAK2, IRAK3 IRAK4 1/4885GAA 2282/4885ALDH1A1 3275/4885
US-20220339161-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL DISORDERS IRAK4, FLT3, IRAK3 IRAK4 1/4885GAA 3302/4885ALDH1A1 1660/4885
US-20250361244-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 IRAK4 1/4885GAA 2541/4885ALDH1A1 3272/4885

“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.