SCHEMBL2967597

SCHEMBL2967597

Cc1ccc(-c2cnc(N)c(N)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.55
MAP4K4 O95819 2/20 0.54
FYN P06241 1/20 0.50
CLK1 P49759 2/20 0.48
USP7 Q93009 1/20 0.46
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
MAPT P10636 1/20 0.43
CASP1 P29466 1/20 0.43
IKBKE Q14164 1/20 0.43
TBK1 Q9UHD2 1/20 0.43
CHRNA7 P36544 1/20 0.43
AURKA O14965 1/20 0.42
TTK P33981 1/20 0.42
AURKB Q96GD4 1/20 0.42
INCENP Q9NQS7 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 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
SCHEMBL29981431 0.84 MAP4K4 (0.61) LRRK2MAP4K4FYNCLK1USP7
SCHEMBL28883695 0.84 MAP4K4 (0.61) LRRK2MAP4K4FYNCLK1USP7
SCHEMBL712180 0.82 PIK3CD (0.43) MAP4K4FYNUSP7MAPTCASP1
SCHEMBL2972043 0.81 PDGFRB (0.49) FYNUSP7PDGFRBPDGFRAMAPT
SCHEMBL18240070 0.81 FYN (0.58) LRRK2MAP4K4FYNCLK1USP7
SCHEMBL1582343 0.80 MAP4K4 (0.54) MAP4K4FYNUSP7PDGFRBPDGFRA
SCHEMBL2976390 0.80 MAP4K4 (0.62) MAP4K4CLK1USP7
SCHEMBL5037032 0.80 CLK1 (0.47) LRRK2MAP4K4CLK1USP7MAPT
SCHEMBL709795 0.79 MAPT (0.59) MAP4K4FYNCLK1USP7MAPT
SCHEMBL1519413 0.78 AURKA (0.61) MAP4K4FYNUSP7PDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108640872-B GSK-3 inhibitor and preparation method and application thereof 山东大学 2020-04-07 CN 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
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
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
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 LRRK2 3418/4885MAP4K4 1048/4885FYN 2807/4885
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 LRRK2 3788/4885MAP4K4 1291/4885FYN 2536/4885
US-20100280002-A1 AMINOPYRIDINE-DERIVATIVES AS INDUCTIBLE NO-SYNTHASE INHIBITORS NOS2, NOS1, NOS3 LRRK2 3418/4885MAP4K4 1048/4885FYN 2807/4885
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 LRRK2 3171/4885MAP4K4 527/4885FYN 1394/4885

“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.