SCHEMBL8275904

SCHEMBL8275904

COc1cc(-c2cccc(N)n2)c(OC)cc1CNCC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 9/20 0.62
▸ NOS3 P29474 5/20 0.53
▸ IDH1 O75874 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CD274 Q9NZQ7 6/20 0.39
▸ PDCD1LG2 Q9BQ51 5/20 0.39
▸ PDCD1 Q15116 1/20 0.36
▸ HTR2A P28223 2/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL8275938 0.90 NOS1 (0.61) NOS1NOS3IDH1KDM4EALDH1A1
SCHEMBL8275836 0.86 NOS1 (0.65) NOS1NOS3IDH1KDM4EALDH1A1
SCHEMBL8275994 0.84 NOS1 (0.69) NOS1NOS3KDM4EALDH1A1CD274
SCHEMBL8275984 0.84 NOS1 (0.62) NOS1NOS3KDM4EALDH1A1CD274
SCHEMBL8275900 0.83 NOS1 (0.61) NOS1NOS3IDH1KDM4EALDH1A1
SCHEMBL8275903 0.82 NOS1 (0.60) NOS1NOS3KDM4EALDH1A1CD274
SCHEMBL8275853 0.82 NOS1 (0.60) NOS1NOS3ALDH1A1CD274PDCD1LG2
SCHEMBL8275915 0.82 NOS1 (0.60) NOS1NOS3CD274PDCD1LG2HTR2A
SCHEMBL8275863 0.82 NOS1 (0.60) NOS1NOS3CD274PDCD1LG2
SCHEMBL8275862 0.82 NOS1 (0.73) NOS1NOS3CD274PDCD1LG2PDCD1

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 1/4885IDH1 68/4885

“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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