SCHEMBL723564

SCHEMBL723564

c1cc(-c2cncs2)c2oc(-c3ccc(OCCN4CCCC4)cc3)cc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.51
HRH3 Q9Y5N1 4/20 0.46
KCNH2 Q12809 2/20 0.46
GRM4 Q14833 1/20 0.43
BMP4 P12644 3/20 0.42
TLR9 Q9NR96 2/20 0.42
TLR7 Q9NYK1 2/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
PTGS2 P35354 1/20 0.41
MCHR1 Q99705 1/20 0.41
BRAF P15056 1/20 0.41
KDR P35968 2/20 0.40
BMPR1B O00238 1/20 0.40
PRKAB2 O43741 1/20 0.40
LCK P06239 1/20 0.40
YES1 P07947 1/20 0.40
THRB P10828 1/20 0.40
SRC P12931 1/20 0.40
FLT1 P17948 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
SCHEMBL723601 0.85 HRH3 (0.48) LTA4HHRH3KCNH2GRM4BMP4
SCHEMBL722187 0.85 CD38 (0.34) LTA4HBRAFPRKAB2PRKAG1PRKAA2
SCHEMBL724818 0.84 PRKAB2 (0.47) LTA4HHRH3KCNH2GRM4BMP4
SCHEMBL725108 0.84 KDR (0.54) LTA4HHRH3KCNH2GRM4BMP4
SCHEMBL723517 0.83 LTA4H (0.46) LTA4HHRH3KCNH2GRM4BMP4
SCHEMBL722107 0.81 GRM4 (0.51) LTA4HHRH3KCNH2GRM4BMP4
SCHEMBL722901 0.81 HRH3 (0.44) LTA4HHRH3KCNH2GRM4BMP4
SCHEMBL723411 0.80 MCHR1 (0.46) LTA4HHRH3KCNH2GRM4BMP4
SCHEMBL723328 0.80 BCHE (0.47) LTA4HHRH3KCNH2GRM4BMP4
SCHEMBL723313 0.80 LTA4H (0.43) LTA4HHRH3KCNH2GRM4BMP4

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

“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.