SCHEMBL310834

SCHEMBL310834

COc1cc(C2CCN(CCS(C)(=O)=O)CC2)c(C)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.46
DRD2 P14416 1/20 0.41
HTR4 Q13639 11/20 0.41
TLR9 Q9NR96 5/20 0.39
TLR8 Q9NR97 5/20 0.39
TLR7 Q9NYK1 5/20 0.39
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2C P18825 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR1D P28221 1/20 0.36
ADRA1B P35368 1/20 0.36
HTR2B P41595 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
SCHEMBL310949 0.85 DRD2 (0.58) DRD2HTR4CHRM4CHRM5ADRA2C
SCHEMBL19175225 0.84 DRD2 (0.44) ALKDRD2HTR4MEN1KMT2A
SCHEMBL13724181 0.82 DRD2 (0.44) ALKDRD2HTR4MEN1KMT2A
SCHEMBL12635462 0.81 QDPR (0.44) ALKDRD2HTR4HTR1D
SCHEMBL10290235 0.80 DRD2 (0.40) DRD2HTR4MEN1ALDH1A1CYP2D6
SCHEMBL311689 0.80 TLR9 (0.47) DRD2HTR4TLR9TLR8TLR7
SCHEMBL310503 0.79 ALK (0.46) ALKDRD2HTR4MEN1ALDH1A1
SCHEMBL10266686 0.79 DRD2 (0.40) ALKDRD2HTR4MEN1KMT2A
SCHEMBL20490712 0.79 DRD4 (0.40) DRD2HTR4MEN1KMT2A
SCHEMBL310084 0.78 HTR1A (0.40) DRD2HTR4ALDH1A1ADRA1BHTR2B

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 ALK 144/4885DRD2 4179/4885HTR4 2757/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 ALK 144/4885DRD2 4179/4885HTR4 2757/4885

“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.