SCHEMBL2862448

SCHEMBL2862448

CCOC(=O)C(C)(C)C1CCN(C(N)=S)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40
CHRM1 P11229 1/20 0.40
THRB P10828 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 1/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.36
NPY2R P49146 1/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL2319139 0.83 GAA (0.41) GAANOS3NOS2CHRM1THRB
SCHEMBL28423485 0.81 GAA (0.43) GAANOS3NOS2CHRM1THRB
SCHEMBL28429967 0.81 GAA (0.43) GAANOS3NOS2CHRM1THRB
SCHEMBL28423487 0.81 GAA (0.43) GAANOS3NOS2CHRM1THRB
SCHEMBL8790971 0.80 GAA (0.40) GAANOS3NOS2MAPTKDM4E
SCHEMBL18979956 0.80 GAA (0.37) GAACHRM1THRBATML3MBTL1
SCHEMBL19995830 0.79 HPGD (0.48) GAATHRBATML3MBTL1PKM
SCHEMBL25553449 0.78 SMN1; SMN2 (0.43) GAAPKMMAPTKDM4EALDH1A1
SCHEMBL22680079 0.77 GAA (0.43) GAANOS3NOS2MAPTALDH1A1
SCHEMBL22680078 0.77 GAA (0.43) GAANOS3NOS2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803801-B2 Aminopyridine compounds having Syk inhibitory activity JAPAN TOBACCO, INC. (JP) 2010-09-28 US disclosed
US-7803801-B2 Aminopyridine compounds having Syk inhibitory activity JAPAN TOBACCO, INC. (JP) 2010-09-28 US disclosed
US-7803801-B2 Aminopyridine compounds having Syk inhibitory activity JAPAN TOBACCO, INC. (JP) 2010-09-28 US disclosed
EP-1854793-A1 NOVEL AMINOPYRIDINE COMPOUND WITH Syk INHIBITORY ACTIVITY Japan Tobacco, Inc. (JP) 2007-11-14 EP disclosed
US-20060205731-A1 Novel aminopyridine compounds having Syk inhibitory activity JAPAN TOBACCO INC. (JP) 2006-09-14 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-20060205731-A1 Novel aminopyridine compounds having Syk inhibitory activity SYK, BTK, ZAP70 GAA 3662/4885NOS3 91/4885NOS2 120/4885

“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.