SCHEMBL6093133

SCHEMBL6093133

CC(=O)OC(=O)[C@@H](N)CSCCNc1cc(C)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.38
ITGAV P06756 3/20 0.38
ITGB5 P18084 3/20 0.38
ITGB6 P18564 3/20 0.38
KARS1 Q15046 1/20 0.37
NOS2 P35228 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
FDPS P14324 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPK10 P53779 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ITGA2B P08514 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
Acetic Acid SCHEMBL6093122 0.85 NOS2 (0.41) ITGB3ITGAVITGB5ITGB6KARS1
SCHEMBL5673108 0.85 NOS2 (0.43) ITGB3ITGAVITGB5ITGB6KARS1
SCHEMBL6092907 0.83 FDPS (0.41) NOS2SMN1; SMN2NPC1PKMRAB9A
SCHEMBL5675021 0.73 RIOK2 (0.42) ITGB3ITGAVITGB5ITGB6NOS2
SCHEMBL828151 0.68 KARS1 (0.63) KARS1NOS2SMN1; SMN2NPC1FDPS
Acetic Acid SCHEMBL6092901 0.68 FDPS (0.43) NOS2SMN1; SMN2NPC1PKMRAB9A
SCHEMBL5673107 0.67 FDPS (0.45) NOS2SMN1; SMN2NPC1PKMRAB9A
SCHEMBL8277604 0.66 KDM4D (0.60) ITGB3ITGAVITGB5ITGB6KARS1
SCHEMBL14125389 0.65 KARS1 (0.63) KARS1NOS2SMN1; SMN2NPC1NOS3
SCHEMBL15829852 0.65 NOS2 (0.46) KARS1NOS2SMN1; SMN2NPC1PKM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060270714-A1 Novel n-substituted 2-aminopyridine derivatives ASTRAZENECA AB (SE) 2006-11-30 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-20060270714-A1 Novel n-substituted 2-aminopyridine derivatives NOS1, NOS2, NOS3 ITGB3 2574/4885ITGAV 3523/4885ITGB5 2221/4885

“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.