SCHEMBL310493

SCHEMBL310493

COc1cc(C2CCN(CC(C)C)CC2)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.46
NPM1 P06748 1/20 0.43
ALK Q9UM73 1/20 0.43
TLR9 Q9NR96 7/20 0.42
TLR8 Q9NR97 7/20 0.42
TLR7 Q9NYK1 7/20 0.42
KCNH2 Q12809 4/20 0.41
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
DRD2 P14416 2/20 0.41
SLC18A3 Q16572 1/20 0.40
HRH1 P35367 1/20 0.40
CCR3 P51677 1/20 0.40
HTR4 Q13639 1/20 0.40

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
SCHEMBL520766 0.92 NPM1 (0.49) QDPRNPM1ALKTLR9TLR8
SCHEMBL520767 0.92 NPM1 (0.49) QDPRNPM1ALKTLR9TLR8
SCHEMBL520128 0.86 NPM1 (0.50) QDPRNPM1ALKTLR9TLR8
SCHEMBL520129 0.86 NPM1 (0.50) QDPRNPM1ALKTLR9TLR8
SCHEMBL20725583 0.85 QDPR (0.49) QDPRKCNH2DRD2HTR4
SCHEMBL521058 0.84 TAAR1 (0.50) QDPRNPM1ALKTLR9TLR8
SCHEMBL521057 0.84 TAAR1 (0.50) QDPRNPM1ALKTLR9TLR8
SCHEMBL15652646 0.84 QDPR (0.44) QDPRNPM1ALKKCNH2SLC18A3
SCHEMBL28869444 0.84 QDPR (0.48) QDPRKCNH2DRD2HTR4
SCHEMBL310593 0.83 DRD2 (0.62) QDPRKCNH2DRD2HTR4

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 QDPR 511/4885NPM1 1313/4885ALK 144/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 QDPR 511/4885NPM1 1313/4885ALK 144/4885

“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.