SCHEMBL8275900

SCHEMBL8275900

CCC(C)(C)NCc1cc(OC)c(-c2cccc(N)n2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 9/20 0.61
▸ NOS3 P29474 5/20 0.55
▸ PDCD1LG2 Q9BQ51 5/20 0.38
▸ CD274 Q9NZQ7 5/20 0.38
▸ IDH1 O75874 1/20 0.35
▸ NOS2 P35228 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ DHFR P00374 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL8275853 0.90 NOS1 (0.60) NOS1NOS3PDCD1LG2CD274ALDH1A1
SCHEMBL8275836 0.90 NOS1 (0.65) NOS1NOS3PDCD1LG2CD274IDH1
SCHEMBL8275994 0.83 NOS1 (0.69) NOS1NOS3PDCD1LG2CD274NOS2
SCHEMBL8275904 0.83 NOS1 (0.62) NOS1NOS3PDCD1LG2CD274IDH1
SCHEMBL8276106 0.83 NOS1 (0.66) NOS1NOS3IDH1NOS2ALDH1A1
SCHEMBL8275753 0.83 NOS1 (0.62) NOS1NOS3PDCD1LG2CD274ALDH1A1
SCHEMBL8275750 0.82 NOS1 (0.67) NOS1NOS3PDCD1LG2CD274IDH1
SCHEMBL8275839 0.80 NOS1 (0.65) NOS1NOS3PDCD1LG2CD274IDH1
SCHEMBL8275999 0.80 NOS1 (0.65) NOS1NOS3DHFR
SCHEMBL8275938 0.80 NOS1 (0.61) NOS1NOS3PDCD1LG2CD274IDH1

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 1/4885PDCD1LG2 4773/4885

“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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