SCHEMBL311689

SCHEMBL311689

COc1cc(C2CCN(CCS(C)(=O)=O)CC2)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 3/20 0.47
TLR8 Q9NR97 3/20 0.47
TLR7 Q9NYK1 3/20 0.47
QDPR P09417 2/20 0.46
HTR4 Q13639 4/20 0.45
DRD2 P14416 3/20 0.44
SIGMAR1 Q99720 1/20 0.44
KCNH2 Q12809 3/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
ADRA2C P18825 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR1D P28221 1/20 0.43
ADRA1B P35368 1/20 0.43
HTR2B P41595 1/20 0.43
HTR3A P46098 1/20 0.43
MCHR1 Q99705 3/20 0.42
PDE4B Q07343 1/20 0.42
KIT P10721 1/20 0.42

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
SCHEMBL310344 0.89 TRPV6 (0.43) TLR9TLR8TLR7QDPRHTR4
SCHEMBL310212 0.89 TRPV6 (0.43) TLR9TLR8TLR7QDPRHTR4
SCHEMBL310211 0.89 TRPV6 (0.43) TLR9TLR8TLR7QDPRHTR4
SCHEMBL310804 0.88 DRD2 (0.46) TLR9TLR8TLR7DRD2SIGMAR1
SCHEMBL310593 0.85 DRD2 (0.62) QDPRHTR4DRD2SIGMAR1KCNH2
SCHEMBL519694 0.84 QDPR (0.52) QDPRHTR4DRD2KCNH2CHRM4
SCHEMBL310239 0.84 QDPR (0.49) TLR9TLR8TLR7QDPRHTR4
SCHEMBL28869444 0.83 QDPR (0.48) QDPRHTR4DRD2KCNH2CHRM4
SCHEMBL17197373 0.82 PDE4B (0.57) QDPRPDE4B
SCHEMBL20725583 0.82 QDPR (0.49) QDPRHTR4DRD2KCNH2CHRM4

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 TLR9 2250/4885TLR8 2639/4885TLR7 2543/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 TLR9 2250/4885TLR8 2639/4885TLR7 2543/4885

“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.