SCHEMBL6098288

SCHEMBL6098288

COc1ccnc(CCc2nc3c(-c4ccc(OCc5ccccc5)c(F)c4)ccnc3[nH]2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 10/20 0.48
NOS1 P29475 9/20 0.48
NOS3 P29474 6/20 0.48
CYP2C9 P11712 1/20 0.43
MET P08581 2/20 0.39
ERN1 O75460 1/20 0.38
TLR8 Q9NR97 1/20 0.38
SYK P43405 2/20 0.37
FFAR1 O14842 1/20 0.37
PPARD Q03181 1/20 0.37
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
PRMT5 O14744 1/20 0.36
STK10 O94804 1/20 0.36
SLK Q9H2G2 1/20 0.36

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
SCHEMBL5037007 0.84 NOS2 (0.51) NOS2NOS1NOS3CYP2C9MET
SCHEMBL5036433 0.76 NOS2 (0.72) NOS2NOS1NOS3CYP2C9
SCHEMBL4295424 0.73 NOS2 (0.58) NOS2NOS1NOS3CYP2C9
SCHEMBL5037053 0.73 NOS2 (0.59) NOS2NOS1NOS3CYP2C9TLR8
SCHEMBL4666236 0.72 NOS2 (0.48) NOS2NOS1NOS3CYP2C9
SCHEMBL5042184 0.72 KIT (0.42) NOS2NOS1NOS3CYP2C9
SCHEMBL5037040 0.72 NOS2 (0.57) NOS2NOS1NOS3CYP2C9
SCHEMBL5041158 0.72 NOS2 (0.67) NOS2NOS1NOS3CYP2C9
SCHEMBL5033915 0.71 NOS2 (0.56) NOS2NOS1NOS3CYP2C9
SCHEMBL5044052 0.71 NOS2 (0.42) NOS2NOS1NOS3CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 NOS2 1/4885NOS1 4/4885NOS3 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.