SCHEMBL16896607

SCHEMBL16896607

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.47
IRAK1 P51617 6/20 0.43
IRAK4 Q9NWZ3 6/20 0.43
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PIK3CD O00329 3/20 0.40
CYP3A4 P08684 3/20 0.40
PIK3CB P42338 3/20 0.40
KCNH2 Q12809 3/20 0.40
PIK3CA P42336 1/20 0.39
SYK P43405 1/20 0.39
PDE4B Q07343 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 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 1.00 HRH3 (0.47) HRH3IRAK1IRAK4NPC1RAB9A
Hydrochloric Acid SCHEMBL29505368 0.99 HRH3 (0.46) HRH3IRAK1IRAK4NPC1RAB9A
Hydrochloric Acid SCHEMBL16896479 0.99 HRH3 (0.46) HRH3IRAK1IRAK4NPC1RAB9A
SCHEMBL28375412 0.90 HRH3 (0.44) HRH3IRAK1IRAK4NPC1RAB9A
SCHEMBL16896433 0.90 HRH3 (0.47) HRH3IRAK1IRAK4NPC1RAB9A
SCHEMBL22769537 0.86 HRH3 (0.43) HRH3IRAK1IRAK4NPC1RAB9A
SCHEMBL22769539 0.86 HRH3 (0.43) HRH3IRAK1IRAK4KCNH2HTT
SCHEMBL30461092 0.86 HRH3 (0.43) HRH3IRAK1IRAK4KCNH2HTT
SCHEMBL16896364 0.84 PLAU (0.45) HRH3
SCHEMBL29505200 0.84 PLAU (0.45) 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 79 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-116710776-A Methods of treating diseases and disorders 柯里斯公司 2023-09-05 CN claimed
EP-3600270-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL DISORDERS AURIGENE ONCOLOGY LTD (IN) 2023-06-14 EP 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
CN-111362966-B Bicyclic heterocyclic derivatives as IRAK4 inhibitors 奥列基因发现技术有限公司 2022-03-11 CN claimed
US-20210290628-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL DISORDERS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2021-09-23 US claimed
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 claimed
CN-106456619-B Bicyclic heterocyclic derivatives as IRAK4 inhibitors 奥列基因发现技术有限公司 2020-03-27 CN claimed
EP-3600270-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL DISORDERS Aurigene Discovery Technologies Limited (IN) 2020-02-05 EP claimed
US-20190134010-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL DISORDERS CURIS, INC. 2019-05-09 US 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

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

For each of this compound's patents that has machine-readable text (7 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-20230414582-A1 METHODS OF TREATING DISEASES AND DISORDERS IRAK4, IRAK3, IRAK2 HRH3 2770/4885IRAK1 4/4885IRAK4 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-20210290628-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL DISORDERS IRAK4, FLT3, IRAK3 HRH3 1892/4885IRAK1 6/4885IRAK4 1/4885
US-20180022758-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 HRH3 2293/4885IRAK1 3/4885IRAK4 1/4885
US-11419875-B2 Compounds and compositions for treating hematological disorders IRAK4, FLT3, IRAK3 HRH3 1892/4885IRAK1 6/4885IRAK4 1/4885
US-20190134010-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL DISORDERS IRAK4, IRAK2, JAK2 HRH3 2417/4885IRAK1 6/4885IRAK4 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.