SCHEMBL16896364

SCHEMBL16896364

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
MAPK14 Q16539 10/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
LRRK2 Q5S007 1/20 0.41
BRAF P15056 3/20 0.40
RAF1 P04049 2/20 0.40
DDR2 Q16832 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 1.00 PLAU (0.45) PLAUHRH3MAPK14MAPK13MAPK12
SCHEMBL25908403 0.91 HRH3 (0.46) PLAUHRH3MAPK14MAPK13MAPK12
SCHEMBL28375017 0.90 PLAU (0.42) PLAUHRH3MAPK14MAPK13MAPK12
SCHEMBL16896444 0.90 HRH3 (0.45) PLAUHRH3MAPK14MAPK13MAPK12
SCHEMBL28378947 0.86 MAPK14 (0.42) PLAUHRH3MAPK14MAPK13MAPK12
SCHEMBL30461103 0.86 MAPK14 (0.42) PLAUHRH3MAPK14MAPK13MAPK12
SCHEMBL16896607 0.84 HRH3 (0.47) HRH3
SCHEMBL29505292 0.84 HRH3 (0.47) HRH3
Hydrochloric Acid SCHEMBL29505368 0.84 HRH3 (0.46) HRH3
Hydrochloric Acid SCHEMBL16896479 0.84 HRH3 (0.46) 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 80 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 PLAU 1229/4885HRH3 2770/4885MAPK14 3629/4885
US-20160340366-A1 BICYCLIC HETEROCYCLYL DERIVATES AS IRAK4 INHIBITORS IRAK4, IRAK1, IRAK3 PLAU 3662/4885HRH3 2239/4885MAPK14 145/4885
US-20180370988-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 PLAU 4000/4885HRH3 2293/4885MAPK14 193/4885
US-20210290628-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL DISORDERS IRAK4, FLT3, IRAK3 PLAU 4266/4885HRH3 1892/4885MAPK14 507/4885
US-20180022758-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 PLAU 4000/4885HRH3 2293/4885MAPK14 193/4885
US-11419875-B2 Compounds and compositions for treating hematological disorders IRAK4, FLT3, IRAK3 PLAU 4266/4885HRH3 1892/4885MAPK14 507/4885
US-20190134010-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL DISORDERS IRAK4, IRAK2, JAK2 PLAU 4476/4885HRH3 2417/4885MAPK14 657/4885

“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.