SCHEMBL723601

SCHEMBL723601

c1ncc(-c2ccnc3cc(-c4ccc(OCCN5CCCC5)cc4)oc23)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.48
KCNH2 Q12809 2/20 0.48
LTA4H P09960 6/20 0.47
BMP4 P12644 3/20 0.44
TLR9 Q9NR96 2/20 0.44
TLR7 Q9NYK1 2/20 0.44
PTGS2 P35354 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
SRC P12931 2/20 0.43
GRM4 Q14833 1/20 0.43
FLT1 P17948 2/20 0.42
KDR P35968 2/20 0.42
BRAF P15056 1/20 0.42
FLT4 P35916 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
BMPR1B O00238 1/20 0.42
PRKAB2 O43741 1/20 0.42
LCK P06239 1/20 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
SCHEMBL725108 0.90 KDR (0.54) HRH3KCNH2LTA4HBMP4PTGS2
SCHEMBL723517 0.87 LTA4H (0.46) HRH3KCNH2LTA4HBMP4TLR9
SCHEMBL722901 0.87 HRH3 (0.44) HRH3KCNH2LTA4HBMP4TLR9
SCHEMBL724818 0.86 PRKAB2 (0.47) HRH3KCNH2LTA4HBMP4TLR9
SCHEMBL723564 0.85 LTA4H (0.51) HRH3KCNH2LTA4HBMP4TLR9
SCHEMBL722107 0.85 GRM4 (0.51) HRH3KCNH2LTA4HBMP4TLR9
SCHEMBL723561 0.85 ESR1 (0.43) HRH3KCNH2LTA4HBMP4BCHE
SCHEMBL723411 0.85 MCHR1 (0.46) HRH3KCNH2LTA4HBMP4TLR9
SCHEMBL723328 0.85 BCHE (0.47) HRH3KCNH2LTA4HBMP4TLR9
SCHEMBL721951 0.84 CYP2D6 (0.34) BRAFPRKAB2PRKAG1PRKAA2PRKAA1

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 7 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
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-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 HRH3 740/4885KCNH2 1087/4885LTA4H 2663/4885

“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.