SCHEMBL5037010

SCHEMBL5037010

Nc1cc(CCc2ccccc2)cnc1N

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.52
MAOB P27338 4/20 0.52
CYP19A1 P11511 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
AOC3 Q16853 1/20 0.41
ATM Q13315 1/20 0.41
CYP2D6 P10635 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CYP2A6 P11509 1/20 0.40
HTR2A P28223 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
NOS1 P29475 1/20 0.40

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
SCHEMBL11745802 0.76 NPC1 (0.44) SMN1; SMN2NOS1
SCHEMBL5036446 0.75 PIN1 (0.51) ALDH1A1GAASMN1; SMN2
SCHEMBL18041381 0.74 MAOB (0.59) MAOAMAOBCYP19A1ALDH1A1ATM
SCHEMBL11745099 0.73 SKP2 (0.46) ALDH1A1GAASMN1; SMN2
SCHEMBL712018 0.73 CA2 (0.34) ALDH1A1
SCHEMBL3936679 0.72 MAOB (0.56) MAOAMAOBAOC3ATMSMN1; SMN2
SCHEMBL13045274 0.72 KCNH2 (0.47) MAOAMAOBALDH1A1SMN1; SMN2CYP2A6
SCHEMBL22448315 0.72 DHFR (0.59)
SCHEMBL10399428 0.71 NOS3 (0.42) SMN1; SMN2NOS1
SCHEMBL28390632 0.71 MAOB (0.60) MAOAMAOBCYP19A1SMN1; SMN2CYP2A6

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 MAOA 736/4885MAOB 385/4885CYP19A1 2543/4885

“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.