SCHEMBL723313

SCHEMBL723313

CN(C)c1ccc(-c2ccnc3cc(-c4ccc(OCCN5CCCC5)cc4)oc23)cn1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.43
BMP4 P12644 2/20 0.43
HRH3 Q9Y5N1 2/20 0.42
KCNH2 Q12809 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
TLR9 Q9NR96 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
GRM4 Q14833 1/20 0.40
MCHR1 Q99705 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 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
SCHEMBL723517 0.87 LTA4H (0.46) LTA4HBMP4HRH3KCNH2BCHE
SCHEMBL723496 0.86 SYK (0.38) KCNH2
SCHEMBL723328 0.86 BCHE (0.47) LTA4HBMP4HRH3KCNH2BCHE
SCHEMBL724818 0.86 PRKAB2 (0.47) LTA4HBMP4HRH3KCNH2BCHE
SCHEMBL723411 0.84 MCHR1 (0.46) LTA4HBMP4HRH3KCNH2BCHE
SCHEMBL725108 0.84 KDR (0.54) LTA4HBMP4HRH3KCNH2GRM4
SCHEMBL723601 0.84 HRH3 (0.48) LTA4HBMP4HRH3KCNH2BCHE
SCHEMBL722107 0.83 GRM4 (0.51) LTA4HBMP4HRH3KCNH2BCHE
SCHEMBL15209357 0.80 ESR1 (0.41) LTA4HBMP4HRH3KCNH2BCHE
SCHEMBL723564 0.80 LTA4H (0.51) LTA4HBMP4HRH3KCNH2BCHE

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 LTA4H 2663/4885BMP4 4088/4885HRH3 740/4885

“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.