SCHEMBL2979098

SCHEMBL2979098

Cc1ccc(-c2cnc(N)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.49
TSHR P16473 2/20 0.47
LRRK2 Q5S007 6/20 0.47
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
INPPL1 O15357 1/20 0.46
LMNA P02545 1/20 0.45
DHFR P00374 1/20 0.44
CLK1 P49759 1/20 0.44
CYP3A4 P08684 1/20 0.43
FYN P06241 1/20 0.43
CHRNA7 P36544 1/20 0.43
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
PARP1 P09874 1/20 0.42
HPRT1 P00492 1/20 0.41

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
SCHEMBL1582196 0.84 MAP4K4 (0.49) MAP4K4MAPTMEN1POLBKMT2A
SCHEMBL5034039 0.84 MAPT (0.46) MAPTMEN1POLBKMT2ATDP1
SCHEMBL2981349 0.84 INPPL1 (0.57) MAP4K4TSHRMAPTMEN1POLB
SCHEMBL710165 0.84 CRHBP (0.53) MAP4K4MAPTMEN1POLBKMT2A
SCHEMBL2972199 0.84 MAPT (0.45) TSHRMAPTMEN1POLBKMT2A
SCHEMBL11224806 0.83 INPPL1 (0.49) MAPTMEN1POLBKMT2ATDP1
SCHEMBL307869 0.80 SMN1; SMN2 (0.54) TSHRMAPTMEN1POLBKMT2A
SCHEMBL29674758 0.80 SMN1; SMN2 (0.54) TSHRMAPTMEN1POLBKMT2A
SCHEMBL5036448 0.79 DHFR (0.54) MAPTMEN1POLBKMT2ATDP1
SCHEMBL5952772 0.77 TDP1 (0.79) TSHRMAPTMEN1POLBKMT2A

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-20100280002-A1 AMINOPYRIDINE-DERIVATIVES AS INDUCTIBLE NO-SYNTHASE INHIBITORS ALTANA PHARMA AG (DE) 2010-11-04 US disclosed
US-7781453-B2 Aminopyridine-derivatives ALTANA PHARMA AG (DE) 2010-08-24 US disclosed
CN-100415746-C Aminopyridine derivatives as inducible NO-synthase inhibitors ALTANA PHARMA AG (DE) 2008-09-03 CN disclosed
US-20080176894-A1 Used as nitric oxide synthase inhibitors; treating acute inflammatory disease with such as 2-[2-(2-amino-4-methylpyridin-6-yl)ethyl]-3H-imidazo[4,5-b]pyridine ALTANA PHARMA AG 2008-07-24 US disclosed
EP-1490366-B1 ALKOXYPYRIDINE-DERIVATIVES NYCOMED GMBH (DE) 2008-01-23 EP disclosed
US-7317021-B2 Aminopyridine-derivatives as inductible no-synthase inhibitors ALTANA PHARMA AG (DE) 2008-01-08 US disclosed
CN-1307176-C Novel alkoxypyridine derivatives ALTANA PHARMA AG (DE) 2007-03-28 CN disclosed
US-20070043072-A1 Aminopyridine-derivatives as inductible no-synthase inhibitors ALTANA PHARMA AG (DE) 2007-02-22 US disclosed
US-7138399-B2 2-[2-(4-alkoxypyridin-2-yl)alkyl])-3H-imidazo[4,5-b]pyridine derivatives and 8-[2-(4-alkoxypyridin-2-yl)alkyl])-9H-purine derivatives; used to treat an acute inflammatory disease in which the activity of inducible NO-synthase is involved ALTANA PHARMA AG (DE) 2006-11-21 US disclosed
EP-1670798-A1 AMINOPYRIDINE-DERIVATIVES AS INDUCTIBLE NO-SYNTHASE INHIBITORS Altana Pharma AG (DE) 2006-06-21 EP disclosed
US-20050171125-A1 2-[2-(4-alkoxypyridin-2-yl)alkyl])-3H-imidazo[4,5-b]pyridine derivatives and 8-[2-(4-alkoxypyridin-2-yl)alkyl])-9H-purine derivatives; used to treat an acute inflammatory disease in which the activity of inducible NO-synthase is involved ALTANA PHARMA AG (DE) 2005-08-04 US disclosed
CN-1642955-A Novel alkoxypyridine derivatives ALTANA PHARMA AG (DE) 2005-07-20 CN disclosed
WO-2005061496-A1 AMINOPYRIDINE-DERIVATIVES AS INDUCTIBLE NO-SYNTHASE INHIBITORS ALTANA PHARMA AG (DE) 2005-07-07 WO disclosed
EP-1490366-A1 NOVEL ALKOXYPYRIDINE-DERIVATIVES ALTANA Pharma AG (DE) 2004-12-29 EP disclosed
WO-2003080607-A1 NOVEL ALKOXYPYRIDINE-DERIVATIVES ALTANA PHARMA AG (DE) 2003-10-02 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 (4 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-20070043072-A1 Aminopyridine-derivatives as inductible no-synthase inhibitors NOS2, NOS1, NOS3 MAP4K4 1048/4885TSHR 2839/4885LRRK2 3418/4885
US-20050171125-A1 2-[2-(4-alkoxypyridin-2-yl)alkyl])-3H-imidazo[4,5-b]pyridine derivatives and 8-[2-(4-alkoxypyridin-2-yl)alkyl])-9H-purine derivatives; used to treat an acute inflammatory disease in which the activity of inducible NO-synthase is involved NOS2, PNP, PTGIS MAP4K4 1291/4885TSHR 2406/4885LRRK2 3788/4885
US-20100280002-A1 AMINOPYRIDINE-DERIVATIVES AS INDUCTIBLE NO-SYNTHASE INHIBITORS NOS2, NOS1, NOS3 MAP4K4 1048/4885TSHR 2839/4885LRRK2 3418/4885
US-20080176894-A1 Used as nitric oxide synthase inhibitors; treating acute inflammatory disease with such as 2-[2-(2-amino-4-methylpyridin-6-yl)ethyl]-3H-imidazo[4,5-b]pyridine NOS2, NOS1, NOS3 MAP4K4 527/4885TSHR 2971/4885LRRK2 3171/4885

“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.