SCHEMBL5673108

SCHEMBL5673108

Cc1ccnc(NCCSC[C@H](N)C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.43
ITGB3 P05106 4/20 0.40
ITGAV P06756 4/20 0.40
ITGB5 P18084 3/20 0.40
ITGB6 P18564 3/20 0.40
ITGA2B P08514 2/20 0.40
ITGB1 P05556 1/20 0.40
ITGA5 P08648 1/20 0.40
FDPS P14324 1/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KIF11 P52732 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.38
KARS1 Q15046 2/20 0.38
KDM4D Q6B0I6 2/20 0.38
GBA1 P04062 1/20 0.38

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 0.98 NOS2 (0.41) NOS2ITGB3ITGAVITGB5ITGB6
SCHEMBL6093133 0.85 ITGB3 (0.38) NOS2ITGB3ITGAVITGB5ITGB6
SCHEMBL5675021 0.85 RIOK2 (0.42) NOS2ITGB3ITGAVITGB5ITGB6
SCHEMBL5673107 0.81 FDPS (0.45) NOS2FDPSRAB9ANPC1MEN1
Acetic Acid SCHEMBL6092901 0.79 FDPS (0.43) NOS2FDPSRAB9ANPC1MEN1
SCHEMBL5673422 0.77 FDPS (0.41) FDPSRAB9ANPC1MEN1KMT2A
Hydrochloric Acid SCHEMBL6092755 0.76 FDPS (0.41) FDPSRAB9ANPC1MEN1KMT2A
SCHEMBL7170034 0.71 ITGB3 (0.54) NOS2ITGB3ITGAVITGB5ITGB6
SCHEMBL5856027 0.70 ITGB3 (0.58) NOS2ITGB3ITGAVITGB5ITGB6
SCHEMBL828151 0.69 KARS1 (0.63) NOS2FDPSNPC1MEN1KMT2A

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 6 patents. 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 claimed
EP-1611100-A1 NOVEL N-SUBSTITUTED 2-AMINOPYRIDINE DERIVATIVES AstraZeneca AB (SE) 2006-01-04 EP claimed
WO-2004087666-A1 NOVEL N-SUBSTITUTED 2-AMINOPYRIDINE DERIVATIVES ASTRAZENECA AB (SE) 2004-10-14 WO claimed
US-20060270714-A1 Novel n-substituted 2-aminopyridine derivatives ASTRAZENECA AB (SE) 2006-11-30 US disclosed
EP-1611100-A1 NOVEL N-SUBSTITUTED 2-AMINOPYRIDINE DERIVATIVES AstraZeneca AB (SE) 2006-01-04 EP disclosed
WO-2004087666-A1 NOVEL N-SUBSTITUTED 2-AMINOPYRIDINE DERIVATIVES ASTRAZENECA AB (SE) 2004-10-14 WO 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 NOS2 2/4885ITGB3 2574/4885ITGAV 3523/4885

“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.