SCHEMBL310588

SCHEMBL310588

CCc1cc(N)c(OC)cc1N1CCN(CCS(C)(=O)=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.41
DRD3 P35462 2/20 0.40
HTR1A P08908 7/20 0.39
ADRA2A P08913 3/20 0.39
EGFR P00533 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR2A P28223 4/20 0.38
HTR7 P34969 3/20 0.38
HTR2C P28335 2/20 0.38
ADORA2B P29275 2/20 0.38
HTR4 Q13639 2/20 0.38
HTR6 P50406 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DRD4 P21917 1/20 0.37
ADRA1D P25100 1/20 0.37

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
SCHEMBL24781080 0.89 EGFR (0.49) DRD2EGFRHTR2AHTR4ADRA1D
SCHEMBL310057 0.89 HSD17B10 (0.39) DRD2DRD3HTR1AEGFRHTR7
SCHEMBL310084 0.86 HTR1A (0.40) DRD2DRD3HTR1AADRA2AHTR2A
SCHEMBL311333 0.85 HTR4 (0.44) HTR1AADRA2AADORA2BHTR4DRD4
SCHEMBL22942165 0.83 DRD2 (0.46) DRD2DRD3HTR1AMEN1KMT2A
SCHEMBL309959 0.83 ALDH1A1 (0.44) HTR1AALDH1A1LMNAHTTL3MBTL1
SCHEMBL310463 0.82 ENPP1 (0.38) DRD2DRD3HTR1AADRA2AMEN1
SCHEMBL310643 0.81 ENPP1 (0.37) MEN1KMT2AHTR4USP2ALDH1A1
SCHEMBL25790703 0.78 HTR6 (0.49) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL1724434 0.78 DRD2 (0.49) DRD2DRD3HTR1AADRA2AHTR2A

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 DRD2 4179/4885DRD3 4326/4885HTR1A 3618/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 DRD2 4179/4885DRD3 4326/4885HTR1A 3618/4885

“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.