SCHEMBL723866

SCHEMBL723866

COc1ccc(C(=O)NC2CCCCC2N)cc1-c1ccnc2cc(-c3cc(OC)c(OC)c(OC)c3)oc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 6/20 0.40
TAS1R1 Q7RTX1 6/20 0.40
FYN P06241 1/20 0.40
SYK P43405 2/20 0.37
TACR1 P25103 2/20 0.37
TACR2 P21452 1/20 0.37
MAPK14 Q16539 1/20 0.37
HDAC4 P56524 1/20 0.36
BRD4 O60885 1/20 0.35
PTK2 Q05397 1/20 0.35
TAS1R2 Q8TE23 3/20 0.35
NPC1 O15118 1/20 0.34
CXCR6 O00574 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL10268968 1.00 TAS1R3 (0.40) TAS1R3TAS1R1FYNSYKTACR1
SCHEMBL15209172 0.94 FYN (0.39) TAS1R3TAS1R1FYNSYKTACR1
SCHEMBL16438195 0.93 FYN (0.39) TAS1R3TAS1R1FYNSYKTACR1
SCHEMBL10269029 0.90 SYK (0.42) TAS1R3TAS1R1FYNSYKPTK2
SCHEMBL10267295 0.90 SYK (0.42) TAS1R3TAS1R1FYNSYKPTK2
SCHEMBL724179 0.88 FYN (0.39) TAS1R3TAS1R1FYNSYKTACR1
SCHEMBL725259 0.88 FYN (0.39) TAS1R3TAS1R1FYNSYKTACR1
SCHEMBL15210331 0.87 FYN (0.39) TAS1R3TAS1R1FYNSYKTACR1
SCHEMBL10269017 0.85 FYN (0.37) TAS1R3TAS1R1FYNSYKTACR1
SCHEMBL722295 0.85 HDAC4 (0.39) TAS1R3TAS1R1FYNSYKHDAC4

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 10 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
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
WO-2012025187-A2 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO 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 TAS1R3 980/4885TAS1R1 293/4885FYN 33/4885

“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.