SCHEMBL310231

SCHEMBL310231

COc1cc(N2CCN(CCS(C)(=O)=O)CC2)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.45
IGF1R P08069 1/20 0.45
GAA P10253 2/20 0.44
RAD52 P43351 1/20 0.44
HTR4 Q13639 6/20 0.43
ADORA2B P29275 4/20 0.43
ALK Q9UM73 1/20 0.43
DRD2 P14416 3/20 0.42
SIRT6 Q8N6T7 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTR7 P34969 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
PTK2B Q14289 1/20 0.40

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
SCHEMBL310734 0.89 HTR4 (0.43) KCNH2IGF1RHTR4ADORA2BALK
SCHEMBL311234 0.89 EGFR (0.45) KCNH2IGF1RHTR4ALKPTK2B
SCHEMBL310977 0.89 EGFR (0.42) KCNH2IGF1RHTR4ALKKDM4E
SCHEMBL310335 0.88 GAA (0.45) KCNH2IGF1RGAARAD52ALK
SCHEMBL13362032 0.84 HSD17B10 (0.52) KCNH2GAARAD52HTR4ADORA2B
SCHEMBL310615 0.84 DRD2 (0.60) KCNH2GAARAD52HTR4ADORA2B
SCHEMBL14180545 0.84 GAA (0.48) KCNH2GAARAD52HTR4ADORA2B
SCHEMBL310404 0.83 HTR4 (0.48) KCNH2GAARAD52HTR4ADORA2B
SCHEMBL2234370 0.83 GAA (0.47) KCNH2GAARAD52HTR4ADORA2B
SCHEMBL10155152 0.83 TGFBR1 (0.50) KCNH2GAARAD52HTR4ADORA2B

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 8 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
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO 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 KCNH2 1034/4885IGF1R 633/4885GAA 1644/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 KCNH2 1034/4885IGF1R 633/4885GAA 1644/4885

“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.