SCHEMBL1737478

SCHEMBL1737478

O=[N+]([O-])c1cccnc1CBr

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.51
POLB P06746 1/20 0.50
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 6/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 2/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 3/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 5/20 0.44
NPC1 O15118 2/20 0.44
LMNA P02545 3/20 0.43
GAA P10253 2/20 0.43
PAX8 Q06710 1/20 0.43
KDM4E B2RXH2 2/20 0.42
CTSB P07858 2/20 0.42
IDO1 P14902 1/20 0.42

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
SCHEMBL29897585 1.00 PDE10A (0.51) PDE10APOLBMEN1KMT2AALDH1A1
SCHEMBL27679418 0.86 PDE10A (0.49) PDE10APOLBMEN1KMT2AALDH1A1
SCHEMBL8566533 0.83 ALDH1A1 (0.53) PDE10APOLBMEN1KMT2AALDH1A1
SCHEMBL9986678 0.81 PDE10A (0.51) PDE10APOLBMEN1KMT2AALDH1A1
SCHEMBL3769047 0.81 PDE10A (0.51) PDE10APOLBMEN1KMT2AALDH1A1
SCHEMBL13953406 0.81 PDE10A (0.51) PDE10APOLBMEN1KMT2AALDH1A1
SCHEMBL30425516 0.81 PDE10A (0.51) PDE10APOLBMEN1KMT2AALDH1A1
SCHEMBL8385464 0.81 PDE10A (0.51) PDE10APOLBMEN1KMT2AALDH1A1
SCHEMBL6762893 0.80 LMNA (0.46) PDE10APOLBMEN1KMT2AALDH1A1
SCHEMBL6369459 0.79 PDE10A (0.49) PDE10APOLBMEN1KMT2AALDH1A1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3661923-B1 N-HETEROCYCLIC COMPOUNDS AS OREXIN 2 AGONISTS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS TAKEDA PHARMACEUTICALS CO (JP) 2024-05-15 EP disclosed
US-20230063805-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-03-02 US disclosed
US-11440883-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-09-13 US disclosed
CN-111051295-B Heterocyclic compounds and their use 武田药品工业株式会社 2022-09-02 CN disclosed
US-20200207734-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-07-02 US disclosed
US-20200207715-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-07-02 US disclosed
EP-3661923-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2020-06-10 EP disclosed
CN-111051295-A Heterocyclic compounds and their use 武田药品工业株式会社 2020-04-21 CN disclosed
US-10584097-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-03-10 US disclosed
US-20200017444-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-01-16 US disclosed
WO-2007114848-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-10-11 WO disclosed
US-20070219230-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2007-09-20 US disclosed
EP-1784404-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-05-16 EP disclosed
WO-2006025716-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO disclosed
WO-2006025717-A1 PYRROLO[2,3-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO disclosed
US-5977146-A Pyridylcarbamates, process and intermediates for their preparation, and their use BASF AKTIENGESELLSCHAFT (DE) 1999-11-02 US disclosed
EP-0874825-A1 PYRIDYL CARBAMATES, PROCESS AND INTERMEDIATES FOR THE PREPARATION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 1998-11-04 EP disclosed
WO-1997021679-A1 PYRIDYL CARBAMATES, PROCESS AND INTERMEDIATES FOR THE PREPARATION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 1997-06-19 WO disclosed
US-4812454-A Nitromethylene derivatives and their use as insecticides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-03-14 US disclosed
US-4772620-A MITICIDES, PARASITICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-09-20 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 (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-20200207734-A1 HETEROCYCLIC COMPOUND AND USE THEREOF HCRTR2, HCRTR1, CNR2 PDE10A 2942/4885POLB 4769/4885MEN1 952/4885
US-11440883-B2 Heterocyclic compound and use thereof HCRTR2, HCRTR1, CNR2 PDE10A 2942/4885POLB 4769/4885MEN1 952/4885
US-20230063805-A1 HETEROCYCLIC COMPOUND AND USE THEREOF HCRTR2, HCRTR1, CNR2 PDE10A 2942/4885POLB 4769/4885MEN1 952/4885
US-20070219230-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, ATP6V1H PDE10A 1117/4885POLB 3262/4885MEN1 2624/4885
US-10584097-B2 Heterocyclic compound and use thereof HCRTR2, HCRTR1, CNR2 PDE10A 2942/4885POLB 4769/4885MEN1 952/4885
US-20200017444-A1 HETEROCYCLIC COMPOUND AND USE THEREOF HCRTR2, HCRTR1, CNR2 PDE10A 2942/4885POLB 4769/4885MEN1 952/4885
US-20200207715-A1 HETEROCYCLIC COMPOUND AND USE THEREOF HCRTR2, HCRTR1, CNR2 PDE10A 2942/4885POLB 4769/4885MEN1 952/4885

“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.