SCHEMBL724818

SCHEMBL724818

Nc1ccc(-c2ccnc3cc(-c4ccc(OCCN5CCCC5)cc4)oc23)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 3/20 0.47
PRKAG1 P54619 3/20 0.47
PRKAA2 P54646 3/20 0.47
PRKAA1 Q13131 3/20 0.47
PRKAG3 Q9UGI9 3/20 0.47
PRKAG2 Q9UGJ0 3/20 0.47
PRKAB1 Q9Y478 3/20 0.47
LTA4H P09960 4/20 0.45
BMP4 P12644 3/20 0.45
HRH3 Q9Y5N1 3/20 0.44
KCNH2 Q12809 2/20 0.44
KDR P35968 4/20 0.43
FLT1 P17948 3/20 0.43
LCK P06239 2/20 0.43
SRC P12931 2/20 0.43
EPHA2 P29317 2/20 0.43
RPS6KA1 Q15418 2/20 0.43
MKNK1 Q9BUB5 2/20 0.43
FLT3 P36888 1/20 0.43
TLR9 Q9NR96 2/20 0.42

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
SCHEMBL723517 0.89 LTA4H (0.46) LTA4HBMP4HRH3KCNH2KDR
SCHEMBL723328 0.87 BCHE (0.47) LTA4HBMP4HRH3KCNH2TLR9
SCHEMBL723411 0.87 MCHR1 (0.46) PRKAA1LTA4HBMP4HRH3KCNH2
SCHEMBL725108 0.86 KDR (0.54) LTA4HBMP4HRH3KCNH2KDR
SCHEMBL723601 0.86 HRH3 (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL723313 0.86 LTA4H (0.43) LTA4HBMP4HRH3KCNH2TLR9
SCHEMBL723867 0.86 PRKAB2 (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL722107 0.84 GRM4 (0.51) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL723564 0.84 LTA4H (0.51) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL722901 0.81 HRH3 (0.44) LTA4HBMP4HRH3KCNH2TLR9

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609100-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-24 EP claimed
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US claimed
US-20130225569-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US claimed
EP-2609100-A2 FUROPYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 EP claimed
WO-2012025187-A2 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO claimed
EP-2609100-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-24 EP disclosed
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
US-20130225569-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US disclosed
US-20130225569-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 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 (1 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-20130225569-A1 FUROPYRIDINE DERIVATIVES SYK, FCGRT, SSB PRKAB2 1832/4885PRKAG1 1499/4885PRKAA2 2114/4885

“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.