SCHEMBL8275994

SCHEMBL8275994

CNCc1cc(OC)c(-c2cccc(N)n2)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 9/20 0.69
▸ NOS3 P29474 5/20 0.58
▸ SLC6A4 P31645 2/20 0.38
▸ CD274 Q9NZQ7 2/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ PDCD1 Q15116 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ NOS2 P35228 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ HTR7 P34969 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ CYP1A1 P04798 1/20 0.37
▸ CYP1B1 Q16678 1/20 0.37
▸ PDCD1LG2 Q9BQ51 1/20 0.36
▸ DHFR P00374 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MCHR1 Q99705 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
SCHEMBL5077795 0.89 NOS1 (0.71) NOS1NOS3SLC6A4CD274KCNH2
SCHEMBL8275836 0.86 NOS1 (0.65) NOS1NOS3CD274ALDH1A1NOS2
SCHEMBL8275839 0.86 NOS1 (0.65) NOS1NOS3CD274KCNH2NOS2
SCHEMBL8275999 0.86 NOS1 (0.65) NOS1NOS3DHFR
SCHEMBL8275988 0.84 NOS1 (0.62) NOS1NOS3CD274PDCD1ALDH1A1
SCHEMBL8275906 0.84 NOS1 (0.62) NOS1NOS3HTR2AKCNH2ALDH1A1
SCHEMBL8275984 0.84 NOS1 (0.62) NOS1NOS3CD274HTR2APDCD1
SCHEMBL8275937 0.84 NOS1 (0.62) NOS1NOS3ALDH1A1KDM4EDHFR
SCHEMBL8275904 0.84 NOS1 (0.62) NOS1NOS3CD274HTR2APDCD1
SCHEMBL8275938 0.83 NOS1 (0.61) NOS1NOS3CD274HTR2AKCNH2

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 1/4885SLC6A4 1261/4885

“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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