SCHEMBL311014

SCHEMBL311014

Cc1ccc(OCCN(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.59
CHRNA4 P43681 2/20 0.59
KDM4E B2RXH2 5/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 3/20 0.48
ALDH1A1 P00352 5/20 0.46
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
KCNH2 Q12809 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
LTA4H P09960 1/20 0.43
TNKS O95271 1/20 0.43

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
SCHEMBL30344322 1.00 CHRNB2 (0.59) CHRNB2CHRNA4KDM4EGAAMAPT
SCHEMBL8915357 0.88 MAPT (0.61) CHRNB2CHRNA4KDM4EGAAMAPT
SCHEMBL30578533 0.88 MAPT (0.61) CHRNB2CHRNA4KDM4EGAAMAPT
SCHEMBL213189 0.84 CHRNB2 (0.62) CHRNB2CHRNA4KDM4EGAAMAPT
SCHEMBL16655258 0.84 CHRNB2 (0.58) CHRNB2CHRNA4KDM4EGAAMAPT
SCHEMBL4257371 0.83 MAPT (0.57) KDM4EMAPTALDH1A1CYP3A4TSHR
SCHEMBL4228943 0.83 MAPT (0.66) KDM4EMAPTALDH1A1CYP3A4TSHR
SCHEMBL16665240 0.82 MAPT (0.50) KDM4EGAAMAPTALDH1A1CYP3A4
SCHEMBL5465073 0.82 MAPT (0.50) KDM4EGAAMAPTALDH1A1CYP3A4
SCHEMBL11439028 0.82 MAPT (0.50) KDM4EMAPTALDH1A1CYP3A4TSHR

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 14 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-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
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
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
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 CHRNB2 2735/4885CHRNA4 2131/4885KDM4E 790/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 CHRNB2 2735/4885CHRNA4 2131/4885KDM4E 790/4885

“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.