SCHEMBL311333

SCHEMBL311333

COc1cc(N2CCN(CCS(C)(=O)=O)CC2)c(Cl)cc1N

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 15/20 0.44
ADORA2B P29275 6/20 0.44
DRD4 P21917 1/20 0.43
SMO Q99835 1/20 0.41
GAA P10253 1/20 0.41
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
IGF1R P08069 1/20 0.39
KCNH2 Q12809 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
SCHEMBL310262 0.89 EGFR (0.41) HTR4ADORA2BDRD4IGF1R
SCHEMBL310084 0.86 HTR1A (0.40) HTR4ADORA2BDRD4SMOHTR1A
SCHEMBL310588 0.85 DRD2 (0.41) HTR4ADORA2BDRD4HTR1AADRA2A
SCHEMBL29508977 0.84 DRD2 (0.47) HTR4ADORA2BDRD4GAA
SCHEMBL22858554 0.84 DRD2 (0.47) HTR4ADORA2BDRD4GAA
SCHEMBL19175211 0.84 HTR4 (0.49) HTR4ADORA2BDRD4GAA
SCHEMBL310385 0.83 ALDH1A1 (0.44) GAAHTR1A
SCHEMBL310463 0.82 ENPP1 (0.38) HTR4ADORA2BDRD4SMOHTR1A
SCHEMBL19175191 0.82 CHRM1 (0.48) HTR4ADORA2BGAA
SCHEMBL22858439 0.80 MAPT (0.54) DRD4GAAHTR1A

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 10 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-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

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 HTR4 2757/4885ADORA2B 2144/4885DRD4 4210/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 HTR4 2757/4885ADORA2B 2144/4885DRD4 4210/4885

“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.