SCHEMBL723893

SCHEMBL723893

COc1cc(-c2cc3nccc(-c4cc(OC(F)(F)F)cc(C(=O)N[C@@H]5CCCC[C@@H]5N)c4)c3o2)cc(OC)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
FYN P06241 1/20 0.36
HDAC4 P56524 1/20 0.36
CNR1 P21554 1/20 0.35
SYK P43405 1/20 0.34
PDE4C Q08493 1/20 0.34
LCLAT1 Q6UWP7 1/20 0.34
BRD4 O60885 1/20 0.34
CXCR6 O00574 2/20 0.33
MAPT P10636 2/20 0.32
TACR2 P21452 1/20 0.32
TACR1 P25103 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL725259 0.93 FYN (0.39) TAS1R3TAS1R1FYNHDAC4CNR1
SCHEMBL10269017 0.90 FYN (0.37) TAS1R3TAS1R1FYNHDAC4CNR1
SCHEMBL722295 0.90 HDAC4 (0.39) TAS1R3TAS1R1TAS1R2FYNHDAC4
SCHEMBL15210331 0.89 FYN (0.39) TAS1R3TAS1R1TAS1R2FYNHDAC4
SCHEMBL723418 0.89 CNR1 (0.39) FYNCNR1SYKPDE4CBRD4
SCHEMBL16626217 0.89 CNR1 (0.39) FYNCNR1SYKPDE4CBRD4
SCHEMBL724179 0.88 FYN (0.39) TAS1R3TAS1R1TAS1R2FYNHDAC4
SCHEMBL10267295 0.86 SYK (0.42) TAS1R3TAS1R1FYNSYKPDE4C
SCHEMBL10269029 0.86 SYK (0.42) TAS1R3TAS1R1FYNSYKPDE4C
SCHEMBL16626242 0.85 FYN (0.38) FYNPDE4CBRD4CXCR6MAPT

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 9 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
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 293/4885TAS1R2 496/4885

“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.