SCHEMBL722901

SCHEMBL722901

N#Cc1cncc(-c2ccnc3cc(-c4ccc(OCCN5CCCC5)cc4)oc23)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.44
KCNH2 Q12809 1/20 0.44
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
LTA4H P09960 5/20 0.42
BRAF P15056 1/20 0.41
BMP4 P12644 2/20 0.41
TLR9 Q9NR96 2/20 0.40
TLR7 Q9NYK1 2/20 0.40
TBK1 Q9UHD2 1/20 0.40
GRM4 Q14833 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
PTGS2 P35354 1/20 0.39

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
SCHEMBL723411 0.87 MCHR1 (0.46) HRH3KCNH2HRH2HRH1LTA4H
SCHEMBL723601 0.87 HRH3 (0.48) HRH3KCNH2LTA4HBRAFBMP4
SCHEMBL15216702 0.86 USP7 (0.36)
SCHEMBL725108 0.85 KDR (0.54) HRH3KCNH2HRH1LTA4HBMP4
SCHEMBL723517 0.84 LTA4H (0.46) HRH3KCNH2LTA4HBMP4TLR9
SCHEMBL723561 0.83 ESR1 (0.43) HRH3KCNH2LTA4HBRAFBMP4
SCHEMBL724818 0.81 PRKAB2 (0.47) HRH3KCNH2LTA4HBMP4TLR9
SCHEMBL722107 0.81 GRM4 (0.51) HRH3KCNH2LTA4HBMP4TLR9
SCHEMBL723564 0.81 LTA4H (0.51) HRH3KCNH2LTA4HBRAFBMP4
SCHEMBL723328 0.80 BCHE (0.47) HRH3KCNH2LTA4HBMP4TLR9

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 1087/4885HRH2 274/4885

“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.