SCHEMBL723496

SCHEMBL723496

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.38
AURKB Q96GD4 3/20 0.38
MAPT P10636 1/20 0.38
KCNH2 Q12809 1/20 0.38
APP P05067 7/20 0.37
BRAF P15056 2/20 0.35
MAP3K11 Q16584 1/20 0.34
KDR P35968 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVR1 Q04771 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
TDO2 P48775 1/20 0.33
PIK3CA P42336 2/20 0.33
MTOR P42345 1/20 0.33
TLR8 Q9NR97 1/20 0.33

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
SCHEMBL723313 0.86 LTA4H (0.43) KCNH2
SCHEMBL723017 0.86 SYK (0.38) SYKAURKBMAPTKCNH2APP
SCHEMBL723926 0.84 CA12 (0.34) BRAFPRKAB1TLR8
SCHEMBL723329 0.84 MAPT (0.39) SYKAURKBMAPTKCNH2APP
SCHEMBL723260 0.84 TLR8 (0.39) SYKTDO2TLR8
SCHEMBL723867 0.84 PRKAB2 (0.36) KCNH2KDRPRKAB1MTORTLR8
SCHEMBL721951 0.82 CYP2D6 (0.34) MAPTBRAFPRKAB1TLR8
SCHEMBL722186 0.82 CHEK1 (0.36) AURKBKCNH2PRKAB1
SCHEMBL722171 0.81 CYP3A4 (0.45) MAPTKDRPIK3CA
SCHEMBL723996 0.80 MET (0.40) SYKAURKBKCNH2TGFBR1

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 SYK 1/4885AURKB 1443/4885MAPT 4861/4885

“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.