SCHEMBL3597296

SCHEMBL3597296

O=[N+]([O-])c1cccnc1Oc1ccc(F)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
KMT2A Q03164 4/20 0.65
MEN1 O00255 3/20 0.65
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
ATM Q13315 1/20 0.65
MAPT P10636 6/20 0.62
MAPK1 P28482 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
LTA4H P09960 1/20 0.58
GAA P10253 2/20 0.52
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
HSPB1 P04792 3/20 0.50
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
GFER P55789 1/20 0.44
PDE10A Q9Y233 1/20 0.44

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
SCHEMBL14577748 0.90 MEN1 (0.80) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL242653 0.86 KMT2A (0.74) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL5025726 0.85 MEN1 (0.65) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL8875848 0.85 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL25309429 0.85 KMT2A (0.65) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL29352582 0.84 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL10522426 0.84 ALDH1A1 (0.77) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL850903 0.81 MEN1 (0.64) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL5797569 0.79 KMT2A (0.59) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL8099661 0.79 MEN1 (0.66) ALDH1A1KMT2AMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784403-B1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2013-07-17 EP disclosed
CN-101010321-B Pyrrolo[3,2-B]pyridine derivatives and processes for the preparation thereof YUHAN CORP 2011-10-26 CN disclosed
US-7642269-B2 Pyrrolo[3,2-B]pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2010-01-05 US disclosed
US-20070213358-A1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2007-09-13 US disclosed
CN-101010321-A Pyrrolo[3,2-B]pyridine derivatives and processes for the preparation thereof YUHAN CORP (KR) 2007-08-01 CN disclosed
EP-1784403-A1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-05-16 EP disclosed
WO-2006038773-A1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-04-13 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-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 US disclosed
CN-1254335-A Nicotinamide derivatives PFIZER PROD INC (US) 2000-05-24 CN disclosed
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 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 (1 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-20070213358-A1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, PPOX ALDH1A1 1933/4885KMT2A 3542/4885MEN1 2718/4885

“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.