Sugi Predict

Sugi Predict / Compounds / SCHEMBL1738384

SCHEMBL1738384

SCHEMBL1738384

O=[N+]([O-])c1cccnc1-c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ TRPV1 Q8NER1 1/20 0.51
▸ PDE10A Q9Y233 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ POLB P06746 2/20 0.46
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ NCOA1 Q15788 1/20 0.43
▸ NCOA3 Q9Y6Q9 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ LMNA P02545 4/20 0.42
▸ TDP1 Q9NUW8 3/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ THRB P10828 2/20 0.42
▸ RECQL P46063 2/20 0.42
▸ BLM P54132 2/20 0.42
▸ KDM4E B2RXH2 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
SCHEMBL7488324 0.89 MAPT (0.44) MAPTMAPK1TRPV1PDE10AALDH1A1
SCHEMBL444703 0.84 ALDH1A1 (0.53) MAPTTRPV1PDE10AALDH1A1POLB
SCHEMBL1736457 0.83 PAX8 (0.57) MAPTTRPV1PDE10AALDH1A1POLB
SCHEMBL1736168 0.83 MEN1 (0.57) MAPTTRPV1PDE10AALDH1A1POLB
SCHEMBL27930436 0.83 TRPV1 (0.51) MAPTTRPV1PDE10AALDH1A1POLB
SCHEMBL28567279 0.83 PDE10A (0.50) TRPV1PDE10AALDH1A1POLBCYP1A2
SCHEMBL8529578 0.83 PDE10A (0.47) MAPTMAPK1TRPV1PDE10AALDH1A1
SCHEMBL8529531 0.83 ALDH1A1 (0.46) MAPTMAPK1TRPV1PDE10AALDH1A1
SCHEMBL6512953 0.82 PDE10A (0.60) MAPTPDE10AALDH1A1POLBCYP1A2
SCHEMBL29940575 0.82 PDE10A (0.60) MAPTPDE10AALDH1A1POLBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3544613-A1 GSK-3 INHIBITORS Bristol-Myers Squibb Company (US) 2019-10-02 — — EP disclosed
WO-2018098412-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-31 — — WO disclosed
US-8188114-B2 Pyrrolo[2,3-C]pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2012-05-29 — — US disclosed
EP-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 — — EP disclosed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 — — US disclosed
CN-101018789-B Pyrrolo[2,3-c]pyridine derivatives and processes for the preparation thereof YUHAN CORP 2010-09-08 — — CN disclosed
US-20100069430-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2010-03-18 — — US disclosed
US-7662832-B2 Pyrrolo[2,3-c]pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2010-02-16 — — US disclosed
EP-1784404-A4 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2009-09-09 — — EP disclosed
US-20070219230-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2007-09-20 — — US disclosed
CN-1061041-C Piperidine derivatives GLAXO GROUP LTD (GB) 2001-01-24 — — CN disclosed
US-5935972-A Benzofuran derivatives as tachykinin antagonists GLAXO GROUP LIMITED (GB) 1999-08-10 — — US disclosed
US-5843966-A Piperidine derivatives GLAXO GROUP LIMITED (GB) 1998-12-01 — — US disclosed
EP-0720609-B1 3-(5-TETRAZOLYL-BENZYL)AMINO-PIPERIDINE DERIVATIVES AND ANTAGONISTS OF TACHYKININS GLAXO GROUP LTD (GB) 1998-11-11 — — EP disclosed
US-5703240-A ANALGESICS; ANTIINFLAMMATORY AGENTS; NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS; GASTROINTESTINAL DISORDERS GLAXO GROUP LIMITED (GB) 1997-12-30 — — US disclosed
EP-0783499-A1 BENZOFURAN DERIVATIVES AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 1997-07-16 — — EP disclosed
CN-1135218-A Piperidine derivatives GLAXO GROUP LTD (GB) 1996-11-06 — — CN disclosed
EP-0720609-A1 3-(5-TETRAZOLYL-BENZYL)AMINO-PIPERIDINE DERIVATIVES AND ANTAGONISTS OF TACHYKININS GLAXO GROUP LIMITED (GB) 1996-07-10 — — EP disclosed
WO-1995008549-A1 3-(5-TETRAZOLYL-BENZYL)AMINO-PIPERIDINE DERIVATIVES AND ANTAGONISTS OF TACHYKININS GLAXO GROUP LIMITED (GB) 1995-03-30 — — WO disclosed
WO-1995006645-A1 BENZOFURAN DERIVATIVES AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 1995-03-09 — — WO 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 (2 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-20100069430-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, ATP6V1H MAPT 3920/4885MAPK1 1781/4885TRPV1 226/4885
US-20070219230-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, ATP6V1H MAPT 3920/4885MAPK1 1781/4885TRPV1 226/4885

“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.