SCHEMBL3396713

SCHEMBL3396713

CC(=O)NCc1nccn1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.46
FDPS P14324 2/20 0.45
MAPK1 P28482 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FPR2 P25090 2/20 0.39
MTNR1A P48039 1/20 0.39
TRPM5 Q9NZQ8 1/20 0.39
SLC40A1 Q9NP59 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
ALOX15 P16050 1/20 0.36

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
SCHEMBL13734058 0.86 FDPS (0.49) OPRK1FDPSMAPK1MEN1KMT2A
SCHEMBL19323053 0.83 OPRK1 (0.47) OPRK1FDPSMAPK1MEN1KMT2A
SCHEMBL19323069 0.83 OPRK1 (0.44) OPRK1FDPSMAPK1MEN1KMT2A
SCHEMBL2092795 0.83 NAMPT (0.47) FDPSMEN1KMT2AMTNR1AL3MBTL1
SCHEMBL4150247 0.81 OPRK1 (0.43) OPRK1FDPSMAPK1MEN1KMT2A
SCHEMBL16133684 0.81 MAPT (0.49) OPRK1FDPSMAPK1MEN1KMT2A
SCHEMBL24015863 0.80 FNTA (0.43) FDPSMAPK1SMN1; SMN2MTNR1AL3MBTL1
SCHEMBL16136347 0.79 FPR2 (0.49) KMT2ANPSR1SMN1; SMN2FPR2MTNR1A
SCHEMBL14621848 0.79 FDPS (0.43) OPRK1FDPSMAPK1MEN1KMT2A
SCHEMBL21765308 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023072974-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-05-04 WO disclosed
US-20220388964-A1 (AZA)INDAZOLYL-ARYL SULFONAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS HIBERCELL, INC. 2022-12-08 US disclosed
WO-2021224291-A1 TRICYCLIC HETEROCYCLES USEFUL AS TEAD BINDERS MERCK PATENT GMBH (DE) 2021-11-11 WO disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-9776996-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-10-03 US disclosed
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 US disclosed
US-20160326170-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2016-11-10 US disclosed
US-9365570-B2 Substituted 6, 5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2016-06-14 US disclosed
US-20160024081-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. 2016-01-28 US disclosed
US-20150246916-A1 Substituted 6, 5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. 2015-09-03 US disclosed
US-9108953-B2 Quinoline derivatives as bromodomain inhibitors GILEAD SCIENCES, INC. (US) 2015-08-18 US disclosed
WO-2015080707-A1 QUINOLINE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. (US) 2015-06-04 WO disclosed
US-9045477-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2015-06-02 US disclosed
US-20150148344-A1 QUINOLINE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. 2015-05-28 US disclosed
US-20140296283-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. (US) 2014-10-02 US disclosed
US-20100204119-A1 4-AMINO-5-OXO-7,8-DIHYDROPYRIMIDO[5,4-F][1,4]OXAZEPIN-6(5H)-YL PHENYL DERIVATIVES PFIZER INC 2010-08-12 US 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 (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-20100204119-A1 4-AMINO-5-OXO-7,8-DIHYDROPYRIMIDO[5,4-F][1,4]OXAZEPIN-6(5H)-YL PHENYL DERIVATIVES DGAT1, DGAT2, MOGAT2 OPRK1 1343/4885FDPS 441/4885MAPK1 3672/4885
US-20150148344-A1 QUINOLINE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD7, BRD3 OPRK1 1847/4885FDPS 4175/4885MAPK1 1379/4885
US-20160024081-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 OPRK1 3128/4885FDPS 49/4885MAPK1 4815/4885
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC OPRK1 1920/4885FDPS 226/4885MAPK1 2374/4885
US-20150246916-A1 Substituted 6, 5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 OPRK1 3128/4885FDPS 49/4885MAPK1 4815/4885
US-20140296283-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 OPRK1 3128/4885FDPS 49/4885MAPK1 4815/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 OPRK1 3944/4885FDPS 805/4885MAPK1 1369/4885
US-20160326170-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 OPRK1 3128/4885FDPS 49/4885MAPK1 4815/4885
US-20220388964-A1 (AZA)INDAZOLYL-ARYL SULFONAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS EIF2AK4, GCN1, GNAI2 OPRK1 4076/4885FDPS 1149/4885MAPK1 3035/4885

“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.