SCHEMBL5037080

SCHEMBL5037080

COCCOc1ccnc(N)c1N

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.49
NOS2 P35228 4/20 0.44
NOS3 P29474 3/20 0.44
CCNT1 O60563 1/20 0.44
CDK9 P50750 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
KDM1A O60341 1/20 0.35
ATR Q13535 1/20 0.35
TLR7 Q9NYK1 2/20 0.35
PLAU P00749 1/20 0.35
PDPK1 O15530 1/20 0.34

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
SCHEMBL2954177 0.78 NOS3 (0.52) IKBKBNOS2NOS3CCNT1CDK9
SCHEMBL29745025 0.78 NOS3 (0.52) IKBKBNOS2NOS3CCNT1CDK9
SCHEMBL23352277 0.78 CYP1A2 (0.44) IKBKBKDM1A
SCHEMBL3665962 0.78 RAB9A (0.55) IKBKBNOS2NOS3CCNT1CDK9
SCHEMBL8563136 0.76 IKBKB (0.45) IKBKBCCNT1CDK9CDK5CDK5R1
SCHEMBL8566254 0.76 IKBKB (0.42) IKBKBCCNT1CDK9CDK5CDK5R1
SCHEMBL30676176 0.74 NOS2 (0.44) IKBKBNOS2NOS3TLR7
SCHEMBL6031561 0.74 NOS2 (0.44) IKBKBNOS2NOS3TLR7
SCHEMBL5038010 0.74 SMN1; SMN2 (0.50)
SCHEMBL15778559 0.73 CCNT1 (0.43) IKBKBCCNT1CDK9CDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490366-B1 ALKOXYPYRIDINE-DERIVATIVES NYCOMED GMBH (DE) 2008-01-23 EP disclosed
CN-1307176-C Novel alkoxypyridine derivatives ALTANA PHARMA AG (DE) 2007-03-28 CN 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
CN-1642955-A Novel alkoxypyridine derivatives ALTANA PHARMA AG (DE) 2005-07-20 CN 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 IKBKB 139/4885NOS2 1/4885NOS3 6/4885

“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.