SCHEMBL310057

SCHEMBL310057

CCOc1cc(N2CCN(CCS(C)(=O)=O)CC2)c(CC)cc1N

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ADRA1D P25100 5/20 0.38
ADRA1A P35348 5/20 0.38
ADRA1B P35368 5/20 0.38
DRD2 P14416 3/20 0.36
SMO Q99835 1/20 0.36
HTR1A P08908 4/20 0.36
HTR7 P34969 4/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
EGFR P00533 1/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL310588 0.89 DRD2 (0.41) ALDH1A1ADRA1DADRA1AADRA1BDRD2
SCHEMBL310757 0.88 SMO (0.41) HSD17B10ALDH1A1ADRA1DADRA1AADRA1B
SCHEMBL309887 0.83 MAPT (0.43) ALDH1A1POLBKDM4E
SCHEMBL310907 0.81 IGF1R (0.39) HSD17B10ALDH1A1EGFRKDM4EL3MBTL1
SCHEMBL310335 0.80 GAA (0.45) HSD17B10ALDH1A1DRD2HTR1AHTR7
SCHEMBL24781080 0.79 EGFR (0.49) ADRA1DADRA1AADRA1BDRD2EGFR
SCHEMBL310084 0.76 HTR1A (0.40) ALDH1A1ADRA1DADRA1AADRA1BDRD2
SCHEMBL309959 0.75 ALDH1A1 (0.44) ALDH1A1HTR1AKDM4EL3MBTL1
SCHEMBL311333 0.75 HTR4 (0.44) SMOHTR1ADRD4
SCHEMBL310383 0.74 RECQL (0.41) HSD17B10ALDH1A1EGFRPOLBKDM4E

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 9 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
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 HSD17B10 4656/4885ALDH1A1 3410/4885ADRA1D 1400/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 HSD17B10 4656/4885ALDH1A1 3410/4885ADRA1D 1400/4885

“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.