SCHEMBL310116

SCHEMBL310116

COc1cc(N2CCC(C3CCN(CCF)CC3)CC2)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 6/20 0.43
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
CHRM3 P20309 2/20 0.41
HTR2B P41595 2/20 0.41
TGFBR1 P36897 1/20 0.41
ACVR1 Q04771 1/20 0.41
ADRA2C P18825 1/20 0.41
HTR1D P28221 1/20 0.41
ADRA1B P35368 1/20 0.41
HTR3A P46098 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
DPP4 P27487 3/20 0.38
SUV39H2 Q9H5I1 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GNAI3 P08754 1/20 0.38
LGMN Q99538 1/20 0.37
INSR P06213 1/20 0.37
EGFR P00533 1/20 0.37

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
SCHEMBL10155152 0.89 TGFBR1 (0.50) HTR4TGFBR1ACVR1SUV39H2HSD17B10
SCHEMBL310656 0.87 ALDH1A1 (0.46) HTR4CHRM4CHRM5CHRM3HTR2B
SCHEMBL311282 0.87 TGFBR1 (0.41) TGFBR1ACVR1INSREGFRALDH1A1
SCHEMBL17265199 0.87 ALDH1A1 (0.46) DPP4HSD17B10LGMNGAAALDH1A1
SCHEMBL310734 0.85 HTR4 (0.43) HTR4CHRM4CHRM5CHRM3HTR2B
SCHEMBL311305 0.81 SIRT6 (0.62) ALDH1A1
SCHEMBL13362032 0.79 HSD17B10 (0.52) HTR4SUV39H2HSD17B10GAARAD52
SCHEMBL17264114 0.79 LGMN (0.40) HTR4DPP4SUV39H2HSD17B10LGMN
SCHEMBL310239 0.79 QDPR (0.49) HTR4CHRM4CHRM5CHRM3HTR2B
SCHEMBL517608 0.77 GAK (0.49) DPP4SUV39H2HSD17B10LGMNGAA

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 12 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
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 HTR4 2757/4885CHRM4 2738/4885CHRM5 3221/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 HTR4 2757/4885CHRM4 2738/4885CHRM5 3221/4885

“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.