SCHEMBL8275992

SCHEMBL8275992

COc1cc(-c2cccc(N)n2)c(OC)cc1CN1C(C)CCC1C

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 18/20 0.61
NOS3 P29474 14/20 0.52
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
NOS2 P35228 10/20 0.38
CD274 Q9NZQ7 1/20 0.37

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
SCHEMBL8275934 0.84 NOS1 (0.53) NOS1NOS3NOS2
SCHEMBL8275886 0.83 NOS1 (0.60) NOS1NOS3NOS2CD274
SCHEMBL8275929 0.82 NOS1 (0.58) NOS1NOS3NOS2CD274
SCHEMBL8275823 0.81 NOS1 (0.63) NOS1NOS3NOS2CD274
SCHEMBL8275811 0.81 NOS1 (0.63) NOS1NOS3NOS2CD274
SCHEMBL8275977 0.81 NOS1 (0.57) NOS1NOS3ADORA2AADORA1NOS2
SCHEMBL8275953 0.81 NOS1 (0.57) NOS1NOS3ADORA2AADORA1NOS2
SCHEMBL8275892 0.81 NOS1 (0.54) NOS1NOS3NOS2CD274
SCHEMBL8275972 0.81 NOS1 (0.62) NOS1NOS3NOS2CD274
SCHEMBL8275852 0.81 NOS1 (0.62) NOS1NOS3NOS2CD274

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-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines PFIZER INC. 2004-04-22 US disclosed
US-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines PFIZER INC. 2004-04-22 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-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines NOS3, NOS1, NOS2 NOS1 2/4885NOS3 1/4885ADORA2A 49/4885

“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.