SCHEMBL2972209

SCHEMBL2972209

CC(=O)Nc1cc(C)cc(Br)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 11/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ADORA2A P29274 3/20 0.43
ADORA1 P30542 2/20 0.41
ADORA2B P29275 2/20 0.41
LCK P06239 1/20 0.41
SORT1 Q99523 1/20 0.41
CYP1A2 P05177 2/20 0.41
PIK3CG P48736 1/20 0.41
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL13727358 0.87 LCK (0.46) LCKSORT1CYP1A2ALDH1A1RAB9A
SCHEMBL18658437 0.86 ADORA3 (0.54) ADORA3L3MBTL1ADORA2AADORA1ADORA2B
SCHEMBL50044 0.81 LCK (0.60) ADORA3L3MBTL1LCKSORT1CYP1A2
SCHEMBL23089699 0.80 MEN1 (0.50) ADORA3L3MBTL1ADORA2AADORA1LCK
SCHEMBL29814644 0.80 MEN1 (0.50) ADORA3L3MBTL1ADORA2AADORA1LCK
SCHEMBL13727420 0.77 LCK (0.44) LCKSORT1
SCHEMBL30592890 0.77 LCK (0.44) LCKSORT1
SCHEMBL7468233 0.75 S1PR2 (0.53) ADORA3L3MBTL1ADORA2AADORA1ADORA2B
SCHEMBL2975617 0.75 ADORA3 (0.45) ADORA3L3MBTL1ADORA2AADORA1ADORA2B
SCHEMBL23998421 0.74 PIK3CG (0.47) ADORA3L3MBTL1ADORA2AADORA1ADORA2B

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 20 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-20100280002-A1 AMINOPYRIDINE-DERIVATIVES AS INDUCTIBLE NO-SYNTHASE INHIBITORS ALTANA PHARMA AG (DE) 2010-11-04 US disclosed
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
US-7781453-B2 Aminopyridine-derivatives ALTANA PHARMA AG (DE) 2010-08-24 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
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
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
US-7317021-B2 Aminopyridine-derivatives as inductible no-synthase inhibitors ALTANA PHARMA AG (DE) 2008-01-08 US disclosed
US-7317021-B2 Aminopyridine-derivatives as inductible no-synthase inhibitors ALTANA PHARMA AG (DE) 2008-01-08 US disclosed
US-7317021-B2 Aminopyridine-derivatives as inductible no-synthase inhibitors ALTANA PHARMA AG (DE) 2008-01-08 US disclosed
US-20070043072-A1 Aminopyridine-derivatives as inductible no-synthase inhibitors ALTANA PHARMA AG (DE) 2007-02-22 US disclosed
US-20070043072-A1 Aminopyridine-derivatives as inductible no-synthase inhibitors ALTANA PHARMA AG (DE) 2007-02-22 US disclosed
US-20070043072-A1 Aminopyridine-derivatives as inductible no-synthase inhibitors ALTANA PHARMA AG (DE) 2007-02-22 US disclosed
CN-1856493-A Aminopyridine derivatives as inducible NO-synthase inhibitors ALTANA PHARMA AG (DE) 2006-11-01 CN disclosed
EP-1670798-A1 AMINOPYRIDINE-DERIVATIVES AS INDUCTIBLE NO-SYNTHASE INHIBITORS Altana Pharma AG (DE) 2006-06-21 EP disclosed
WO-2005061496-A1 AMINOPYRIDINE-DERIVATIVES AS INDUCTIBLE NO-SYNTHASE INHIBITORS ALTANA PHARMA AG (DE) 2005-07-07 WO disclosed
WO-2000021934-A1 COMPOUNDS ASTRAZENECA AB (SE) 2000-04-20 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 (3 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 ADORA3 251/4885L3MBTL1 3543/4885ADORA2A 351/4885
US-20100280002-A1 AMINOPYRIDINE-DERIVATIVES AS INDUCTIBLE NO-SYNTHASE INHIBITORS NOS2, NOS1, NOS3 ADORA3 251/4885L3MBTL1 3543/4885ADORA2A 351/4885
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 ADORA3 680/4885L3MBTL1 3339/4885ADORA2A 923/4885

“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.