SCHEMBL310463

SCHEMBL310463

COc1cc(N2CCCN(CCS(C)(=O)=O)CC2)c(C)cc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.38
HTR1A P08908 6/20 0.37
HTR2A P28223 5/20 0.37
HTR7 P34969 4/20 0.37
ADRA2A P08913 3/20 0.37
SLC6A4 P31645 2/20 0.37
HTR2B P41595 2/20 0.37
KCNH2 Q12809 2/20 0.37
SMO Q99835 1/20 0.37
DRD2 P14416 6/20 0.36
HTR2C P28335 2/20 0.36
ADORA2B P29275 2/20 0.36
HTR4 Q13639 2/20 0.36
HTR6 P50406 1/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ABCC4 O15439 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL310084 0.95 HTR1A (0.40) HTR1AHTR2AHTR7ADRA2ASLC6A4
SCHEMBL1725703 0.85 ALDH1A1 (0.44) HTR1AHTR2AHTR7ADRA2ASLC6A4
SCHEMBL310371 0.84 SMN1; SMN2 (0.45) LMNAKMT2ASMN1; SMN2
SCHEMBL310757 0.84 SMO (0.41) HTR1AHTR7SMODRD2MEN1
SCHEMBL13981605 0.84 SMO (0.39) HTR1AHTR2ASMODRD2MEN1
SCHEMBL310588 0.82 DRD2 (0.41) HTR1AHTR2AHTR7ADRA2ASLC6A4
SCHEMBL311333 0.82 HTR4 (0.44) HTR1AADRA2AKCNH2SMOADORA2B
SCHEMBL310589 0.79 HTR2A (0.43) HTR1AHTR2AHTR7DRD2ADORA2B
SCHEMBL24327045 0.79 ALDH1A1 (0.47) HTR1ADRD2MEN1KMT2ATSHR
SCHEMBL311018 0.79 ALDH1A1 (0.47) HTR1ALMNAKMT2ASMN1; SMN2CYP2D6

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 13 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-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 US 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
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 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
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US 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 ENPP1 703/4885HTR1A 3618/4885HTR2A 3274/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 ENPP1 703/4885HTR1A 3618/4885HTR2A 3274/4885

“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.