SCHEMBL17166207

SCHEMBL17166207

COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(Br)ccc2N=C1OP(=O)(N1CCOCC1)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SCN9A Q15858 1/20 0.32
NPC1 O15118 2/20 0.32
TP53 P04637 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
CYP3A4 P08684 1/20 0.32
NPY1R P25929 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL20473341 1.00 LMNA (0.34) LMNANPSR1TDP1L3MBTL1SCN9A
SCHEMBL14329002 0.97 LMNA (0.33) LMNANPSR1TDP1L3MBTL1SCN9A
SCHEMBL20473298 0.92 LMNA (0.35) LMNANPSR1TDP1L3MBTL1SCN9A
SCHEMBL20473277 0.91
SCHEMBL19006592 0.91
SCHEMBL14328973 0.90 LMNA (0.36) LMNANPSR1TDP1L3MBTL1NPC1
SCHEMBL17244387 0.86 LMNA (0.34) LMNANPSR1TDP1L3MBTL1NPC1
SCHEMBL19006745 0.85 LMNA (0.34) LMNANPSR1TDP1L3MBTL1SCN9A
SCHEMBL20906913 0.85 NPY1R (0.35) NPC1TP53RAB9ASMN1; SMN2NPY1R
SCHEMBL19006729 0.84 KDM6B (0.34) NPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11325911-B2 Method for preparing 3-[(4S)-8-bromo-1-methyl-6-(pyridin-2-yl)-4H-imidazo[ 1,2-a][1,4]benzodiazepin-4-yl]-propionic acid methyl ester, and compounds useful in said method MOEHS IBERICA, S.L. 2022-05-10 US disclosed
US-11325911-B2 Method for preparing 3-[(4S)-8-bromo-1-methyl-6-(pyridin-2-yl)-4H-imidazo[ 1,2-a][1,4]benzodiazepin-4-yl]-propionic acid methyl ester, and compounds useful in said method MOEHS IBERICA, S.L. 2022-05-10 US disclosed
US-11236064-B2 Method for preparing 3-[(3S)-7-bromo-2-oxo-5-(pyridin-2-yl)-2,3-dihydro-1H-[1,4]-benzodiazepin-3-yl] propionic acid methyl ester, and compounds useful in that method MOEHS IBERICA S.L. (ES) 2022-02-01 US disclosed
US-20210139452-A1 METHOD FOR PREPARING 3-[(3S)-7-BROMO-2-OXO-5-(PYRIDIN-2-YL)-2,3-DIHYDRO-1H-[1,4]-BENZODIAZEPIN-3-YL] PROPIONIC ACID METHYL ESTER, AND COMPOUNDS USEFUL IN THAT METHOD MOEHS IBERICA S.L. (ES) 2021-05-13 US disclosed
US-20200239477-A1 METHOD FOR PREPARING 3-[(4S)-8-BROMO-1-METHYL-6-(PYRIDIN-2-YL)-4H-IMIDAZO[1,2-A][1,4]BENZODIAZEPIN-4-YL]-PROPIONIC ACID METHYL ESTER, AND COMPOUNDS USEFUL IN SAID METHOD MOEHS IBERICA, S.L. (ES) 2020-07-30 US disclosed
US-20200239477-A1 METHOD FOR PREPARING 3-[(4S)-8-BROMO-1-METHYL-6-(PYRIDIN-2-YL)-4H-IMIDAZO[1,2-A][1,4]BENZODIAZEPIN-4-YL]-PROPIONIC ACID METHYL ESTER, AND COMPOUNDS USEFUL IN SAID METHOD MOEHS IBERICA, S.L. (ES) 2020-07-30 US disclosed
US-20180312511-A1 SHORT-ACTING BENZODIAZEPINE DERIVATIVES, PREPARATION METHOD THEREFOR, AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2018-11-01 US disclosed
EP-3363801-A1 SHORT-ACTING BENZODIAZEPINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2018-08-22 EP disclosed
US-10000464-B2 Process for preparing 3-[(4S)-8-bromo-1-methyl-6-(2-pyridinyl)-4H-imidazo[1,2-A][1,4]benzodiazepine-4-yl]propionic acid methyl ester or the benzene sulfonate salt thereof, and compounds useful in that process PAION UK LIMITED (GB) 2018-06-19 US disclosed
WO-2017101808-A1 SHORT-ACTING BENZODIAZEPINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2017-06-22 WO disclosed
US-20170044135-A1 PROCESS FOR PREPARING 3-[(4S)-8-BROMO-1-METHYL-6-(2-PYRIDINYL)-4H-IMIDAZO[1,2-A][1,4]BENZODIAZEPINE-4-YL]PROPIONIC ACID METHYL ESTER OR THE BENZENE SULFONATE SALT THEREOF, AND COMPOUNDS USEFUL IN THAT PROCESS PAION UK LIMITED (GB) 2017-02-16 US disclosed
US-9512078-B2 Process for preparing 3-[(45)-8-bromo-1-methyl-6-(2-pyridinyl)-4H-imidazo[1,2-A][1,4]benzodiazepine-4-yl]propionic acid methyl ester or the benzene sulfonate salt thereof, and compounds useful in that process PAION UK LIMITED (GB) 2016-12-06 US disclosed
US-20150368199-A1 PROCESS FOR PREPARING 3-[(4S)-8-BROMO-1-METHYL-6-(2-PYRIDINYL)-4H-IMIDAZO[1,2-A][1,4]BENZODIAZEPINE-4-YL]PROPIONIC ACID METHYL ESTER OR THE BENZENE SULFONATE SALT THEREOF, AND COMPOUNDS USEFUL IN THAT PROCESS PAION UK LIMITED (GB) 2015-12-24 US disclosed
EP-2477967-B1 Process for preparing 3-[(4S)-8-bromo-1-methyl-6-(2-pyridinyl)-4 H-imidazo[1,2-a][1,4]benzodiazepine-4-yl] propionic acid methyl ester or the benzene sulfonate salt thereof, and compounds useful in that process PAION UK LTD (GB) 2015-11-11 EP disclosed
US-9156842-B2 Process for preparing 3-[(4S)-8-bromo-1-methyl-6-(2-pyridinyl)-4H-imidazo[1,2-A][1,4]benzodiazepine-4-YL]propionic acid methyl ester or the benzene sulfonate salt thereof, and compounds useful in that process PAION UK LIMITED (GB) 2015-10-13 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 (8 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-20210139452-A1 METHOD FOR PREPARING 3-[(3S)-7-BROMO-2-OXO-5-(PYRIDIN-2-YL)-2,3-DIHYDRO-1H-[1,4]-BENZODIAZEPIN-3-YL] PROPIONIC ACID METHYL ESTER, AND COMPOUNDS USEFUL IN THAT METHOD GABRA3, GRIK5, GABRA6 LMNA 995/4885NPSR1 739/4885TDP1 2295/4885
US-11236064-B2 Method for preparing 3-[(3S)-7-bromo-2-oxo-5-(pyridin-2-yl)-2,3-dihydro-1H-[1,4]-benzodiazepin-3-yl] propionic acid methyl ester, and compounds useful in that method GABRA3, GRIK5, GABRA6 LMNA 995/4885NPSR1 739/4885TDP1 2295/4885
US-20180312511-A1 SHORT-ACTING BENZODIAZEPINE DERIVATIVES, PREPARATION METHOD THEREFOR, AND USE THEREOF GABRA5, GABRA1, GABRA6 LMNA 1733/4885NPSR1 198/4885TDP1 3667/4885
US-11325911-B2 Method for preparing 3-[(4S)-8-bromo-1-methyl-6-(pyridin-2-yl)-4H-imidazo[ 1,2-a][1,4]benzodiazepin-4-yl]-propionic acid methyl ester, and compounds useful in said method GABRA6, GABRA4, GABRA1 LMNA 918/4885NPSR1 547/4885TDP1 2596/4885
US-20200239477-A1 METHOD FOR PREPARING 3-[(4S)-8-BROMO-1-METHYL-6-(PYRIDIN-2-YL)-4H-IMIDAZO[1,2-A][1,4]BENZODIAZEPIN-4-YL]-PROPIONIC ACID METHYL ESTER, AND COMPOUNDS USEFUL IN SAID METHOD GABRA6, GABRA4, GABRA1 LMNA 918/4885NPSR1 547/4885TDP1 2596/4885
US-20150368199-A1 PROCESS FOR PREPARING 3-[(4S)-8-BROMO-1-METHYL-6-(2-PYRIDINYL)-4H-IMIDAZO[1,2-A][1,4]BENZODIAZEPINE-4-YL]PROPIONIC ACID METHYL ESTER OR THE BENZENE SULFONATE SALT THEREOF, AND COMPOUNDS USEFUL IN THAT PROCESS GABRA1, GABRA6, GABRA4 LMNA 2414/4885NPSR1 942/4885TDP1 3554/4885
US-10000464-B2 Process for preparing 3-[(4S)-8-bromo-1-methyl-6-(2-pyridinyl)-4H-imidazo[1,2-A][1,4]benzodiazepine-4-yl]propionic acid methyl ester or the benzene sulfonate salt thereof, and compounds useful in that process GABRA1, CYP2F1, GABRA6 LMNA 2469/4885NPSR1 910/4885TDP1 3497/4885
US-20170044135-A1 PROCESS FOR PREPARING 3-[(4S)-8-BROMO-1-METHYL-6-(2-PYRIDINYL)-4H-IMIDAZO[1,2-A][1,4]BENZODIAZEPINE-4-YL]PROPIONIC ACID METHYL ESTER OR THE BENZENE SULFONATE SALT THEREOF, AND COMPOUNDS USEFUL IN THAT PROCESS GABRA1, CYP2F1, GABRA6 LMNA 2469/4885NPSR1 910/4885TDP1 3497/4885

“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.