SCHEMBL310757

SCHEMBL310757

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.41
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 3/20 0.38
GAA P10253 1/20 0.38
RAD52 P43351 1/20 0.38
GFER P55789 1/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.38
ADRA1D P25100 4/20 0.37
ADRA1A P35348 4/20 0.37
ADRA1B P35368 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
DRD2 P14416 2/20 0.36
IGF1R P08069 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 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
SCHEMBL310057 0.88 HSD17B10 (0.39) SMOALDH1A1HSD17B10TSHRL3MBTL1
SCHEMBL310084 0.88 HTR1A (0.40) SMOALDH1A1ADRA1DADRA1AADRA1B
SCHEMBL310463 0.84 ENPP1 (0.38) SMOTSHRLMNASMN1; SMN2DRD2
SCHEMBL309838 0.83 MAPT (0.43) SMOALDH1A1MAPTLMNAGAA
SCHEMBL310526 0.81 EGFR (0.39) ALDH1A1HSD17B10TSHRMAPTLMNA
SCHEMBL310335 0.80 GAA (0.45) ALDH1A1HSD17B10L3MBTL1MAPTLMNA
SCHEMBL1725703 0.79 ALDH1A1 (0.44) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL310588 0.77 DRD2 (0.41) ALDH1A1L3MBTL1LMNAADRA1DADRA1A
SCHEMBL13981605 0.76 SMO (0.39) SMOALDH1A1MAPTGAARAD52
SCHEMBL311333 0.75 HTR4 (0.44) SMOGAAIGF1RHTR1ADRD4

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 11 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
WO-2010045451-A1 PYRROLOPYRIMIDINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-22 WO 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 SMO 3042/4885ALDH1A1 3410/4885HSD17B10 4656/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 SMO 3042/4885ALDH1A1 3410/4885HSD17B10 4656/4885

“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.