SCHEMBL5036347

SCHEMBL5036347

Nc1nccc(OCC(F)(F)F)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALOX15 P16050 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
THRB P10828 1/20 0.48
G6PD P11413 1/20 0.48
CASP1 P29466 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NOS3 P29474 2/20 0.39
NOS2 P35228 2/20 0.39
HRH4 Q9H3N8 2/20 0.37
SCN9A Q15858 2/20 0.36
TNK2 Q07912 1/20 0.35
ADORA2A P29274 1/20 0.35

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
SCHEMBL16856841 0.78 MAPT (0.42) MAPTALDH1A1KMT2AKDM4EALOX15
SCHEMBL2123624 0.78 LTA4H (0.54) MAPTALDH1A1KMT2AKDM4EALOX15
SCHEMBL15791321 0.73 MAPT (0.52) MAPTALDH1A1KMT2AKDM4EALOX15
SCHEMBL31423975 0.71 ADORA2A (0.39) MAPTALDH1A1KMT2AKDM4EALOX15
SCHEMBL5218807 0.70 NPC1 (0.45) MAPTALDH1A1KMT2AKDM4EALOX15
SCHEMBL24180130 0.70 ALDH1A1 (0.48) MAPTALDH1A1KMT2AKDM4EALOX15
SCHEMBL5037080 0.70 IKBKB (0.49) NOS3NOS2ATR
SCHEMBL29745025 0.70 NOS3 (0.52) MAPTALDH1A1KDM4ETHRBL3MBTL1
SCHEMBL2954177 0.70 NOS3 (0.52) MAPTALDH1A1KDM4ETHRBL3MBTL1
SCHEMBL29435659 0.70 NOS3 (0.46) ALOX15HSD17B10NOS3NOS2HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490366-B1 ALKOXYPYRIDINE-DERIVATIVES NYCOMED GMBH (DE) 2008-01-23 EP 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
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
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 (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-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 MAPT 4486/4885ALDH1A1 650/4885KMT2A 3139/4885

“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.