SCHEMBL310335

SCHEMBL310335

CCOc1cc(N2CCN(CCS(C)(=O)=O)CC2)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
RAD52 P43351 1/20 0.45
DRD2 P14416 2/20 0.43
MAPT P10636 6/20 0.43
KDM4E B2RXH2 3/20 0.42
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
IGF1R P08069 2/20 0.41
KCNH2 Q12809 1/20 0.41
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HTR1A P08908 2/20 0.39
HTR7 P34969 2/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL310840 0.89 ALDH1A1 (0.42) GAARAD52MAPTALDH1A1MEN1
SCHEMBL310207 0.89 EGFR (0.41) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL310231 0.88 KCNH2 (0.45) GAARAD52DRD2MAPTKDM4E
SCHEMBL310612 0.86 DRD2 (0.51) GAARAD52DRD2MAPTKDM4E
SCHEMBL15358735 0.84 MAPT (0.58) GAARAD52MAPTKDM4EMAPK1
SCHEMBL311242 0.83 MAPT (0.67) GAADRD2MAPTMAPK1ALDH1A1
SCHEMBL29508973 0.82 MAPT (0.58) GAARAD52MAPTKDM4EMAPK1
SCHEMBL1912036 0.82 MAPT (0.58) GAARAD52MAPTKDM4EMAPK1
SCHEMBL14406647 0.80 GAA (0.46) GAARAD52DRD2MAPTKDM4E
SCHEMBL310057 0.80 HSD17B10 (0.39) DRD2KDM4EALDH1A1POLBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2162454-B1 IMIDAZOPYRIDINE KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-01-02 EP disclosed
EP-2162454-B1 IMIDAZOPYRIDINE KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-01-02 EP disclosed
US-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 US disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 US disclosed
EP-2162454-A1 IMIDAZOPYRIDINE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-03-17 EP disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 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 (2 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-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 GAA 1644/4885RAD52 4087/4885DRD2 4179/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 GAA 1644/4885RAD52 4087/4885DRD2 4179/4885

“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.