SCHEMBL310514

SCHEMBL310514

COc1cc(N2CCC(CCS(C)(=O)=O)CC2)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.41
HTR4 Q13639 4/20 0.40
LGMN Q99538 1/20 0.40
MCHR1 Q99705 5/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR1D P28221 1/20 0.39
ADRA1B P35368 1/20 0.39
HTR2B P41595 1/20 0.39
HTR3A P46098 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ENPP1 P22413 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
INSR P06213 1/20 0.38
IGF1R P08069 1/20 0.38
MAPT P10636 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL310974 0.93 EGFR (0.39) DPP4HTR4LGMNMCHR1INSR
SCHEMBL311048 0.83 LMNA (0.61) ALDH1A1MAPT
SCHEMBL310734 0.82 HTR4 (0.43) DPP4HTR4LGMNMCHR1CHRM4
SCHEMBL1911948 0.81 SUV39H2 (0.46) DPP4HTR4LGMNCHRM4CHRM5
SCHEMBL1911923 0.81 HTR4 (0.46) DPP4HTR4LGMNCHRM4CHRM5
SCHEMBL310231 0.80 KCNH2 (0.45) HTR4IGF1RMAPT
SCHEMBL311234 0.80 EGFR (0.45) HTR4INSRIGF1R
SCHEMBL310858 0.80 EGFR (0.38) HTR4ALDH1A1ENPP1IGF1RACHE
SCHEMBL10290742 0.79 HTR4 (0.43) HTR4LGMNCHRM4CHRM5ADRA2C
SCHEMBL23624954 0.79 ALDH1A1 (0.39) DPP4LGMNALDH1A1MAPT

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
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-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
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

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 DPP4 659/4885HTR4 2757/4885LGMN 3434/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 DPP4 659/4885HTR4 2757/4885LGMN 3434/4885

“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.