SCHEMBL5036508

SCHEMBL5036508

COc1ccnc(CCc2nc3c(C)cc(C)nc3[nH]2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 14/20 0.68
NOS1 P29475 12/20 0.68
NOS3 P29474 9/20 0.61
CYP2C9 P11712 1/20 0.55
ATP4A P20648 2/20 0.37
ATP4B P51164 2/20 0.37
ATP1A1 P05023 1/20 0.35
ATP1B1 P05026 1/20 0.35
ATP1A3 P13637 1/20 0.35
ATP1B2 P14415 1/20 0.35
ATP1A2 P50993 1/20 0.35
ATP1B3 P54709 1/20 0.35
FXYD2 P54710 1/20 0.35
ATP1A4 Q13733 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR3 P22607 1/20 0.35
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
HTR1A P08908 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
SCHEMBL5041158 0.88 NOS2 (0.67) NOS2NOS1NOS3CYP2C9CCR1
SCHEMBL4295424 0.81 NOS2 (0.58) NOS2NOS1NOS3CYP2C9ATP4A
SCHEMBL5037040 0.81 NOS2 (0.57) NOS2NOS1NOS3CYP2C9ATP4A
SCHEMBL5033915 0.80 NOS2 (0.56) NOS2NOS1NOS3CYP2C9
SCHEMBL4866639 0.77 NOS2 (0.55) NOS2NOS1NOS3CYP2C9FGFR2
SCHEMBL5036437 0.76 NOS2 (0.58) NOS2NOS1NOS3CYP2C9FGFR2
SCHEMBL5036601 0.76 NOS2 (0.70) NOS2NOS1NOS3CYP2C9ATP4A
SCHEMBL5038052 0.76 NOS2 (0.52) NOS2NOS1NOS3CYP2C9
SCHEMBL231090 0.76 NOS2 (0.67) NOS2NOS1NOS3CYP2C9
SCHEMBL29623779 0.76 NOS2 (0.67) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490366-B1 ALKOXYPYRIDINE-DERIVATIVES NYCOMED GMBH (DE) 2008-01-23 EP claimed
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 claimed
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 claimed
US-20180214430-A1 Selective Inhibitors Of i-NOS For Use Against Viral Infection UCL BUSINESS PLC (GB) 2018-08-02 US disclosed
US-20180214430-A1 Selective Inhibitors Of i-NOS For Use Against Viral Infection UCL BUSINESS PLC (GB) 2018-08-02 US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20180214430-A1 Selective Inhibitors Of i-NOS For Use Against Viral Infection NOS2, NOS1, NOS3 NOS2 1/4885NOS1 2/4885NOS3 3/4885
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 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.