SCHEMBL8276112

SCHEMBL8276112

CCc1cc(-c2cccc(N)n2)c(OC)cc1CCNC(C)(C)CO

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 8/20 0.63
▸ NOS3 P29474 4/20 0.63
▸ CD274 Q9NZQ7 4/20 0.39
▸ PDCD1LG2 Q9BQ51 3/20 0.39
▸ PDCD1 Q15116 1/20 0.34
▸ CYP1A1 P04798 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ TRPV3 Q8NET8 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ GAA P10253 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ SUV39H2 Q9H5I1 1/20 0.32
▸ NPC1 O15118 1/20 0.32

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
SCHEMBL8276106 0.92 NOS1 (0.66) NOS1NOS3CYP1A1CYP1B1
SCHEMBL8275753 0.90 NOS1 (0.62) NOS1NOS3CD274PDCD1LG2PDCD1
SCHEMBL8276020 0.83 NOS1 (0.71) NOS1NOS3
SCHEMBL8275853 0.82 NOS1 (0.60) NOS1NOS3CD274PDCD1LG2PDCD1
SCHEMBL8276073 0.81 NOS1 (0.68) NOS1NOS3CYP1A1CYP1B1SUV39H2
SCHEMBL8276013 0.81 NOS1 (0.68) NOS1NOS3CYP1A1CYP1B1
SCHEMBL8275750 0.81 NOS1 (0.67) NOS1NOS3CD274PDCD1LG2CYP1A1
SCHEMBL8276084 0.81 NOS1 (0.64) NOS1NOS3CYP1A1CYP1B1
SCHEMBL8276059 0.80 NOS1 (0.66) NOS1NOS3GAANPC1
SCHEMBL8276047 0.80 NOS1 (0.66) NOS1NOS3GAA

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 1/4885CD274 4431/4885

“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.

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