SCHEMBL310840

SCHEMBL310840

CCOc1cc(N2CCN(C3CCN(CCS(C)(=O)=O)CC3)CC2)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
EGFR P00533 2/20 0.38
IGF1R P08069 2/20 0.37
INSR P06213 2/20 0.37
ALK Q9UM73 2/20 0.37
LGMN Q99538 1/20 0.37
KCNH2 Q12809 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
GAA P10253 1/20 0.36
RAD52 P43351 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
SCHEMBL310207 0.96 EGFR (0.41) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL310977 0.90 EGFR (0.42) ALDH1A1SMN1; SMN2KMT2AMAPTEGFR
SCHEMBL310335 0.89 GAA (0.45) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL310642 0.86 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL309770 0.85 MAPT (0.58) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL311234 0.85 EGFR (0.45) EGFRIGF1RINSRALKKCNH2
SCHEMBL10257009 0.84 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2EGFRIGF1RINSR
SCHEMBL311522 0.84 RECQL (0.44) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL14406642 0.83 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KMT2AMAPTITGB3
SCHEMBL12917658 0.82 ALK (0.47) ALDH1A1KMT2AMAPTMEN1EGFR

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 4 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-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 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 ALDH1A1 3410/4885SMN1; SMN2 2982/4885KMT2A 800/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 ALDH1A1 3410/4885SMN1; SMN2 2982/4885KMT2A 800/4885

“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.