SCHEMBL722295

SCHEMBL722295

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.39
FYN P06241 1/20 0.37
HCRTR1 O43613 5/20 0.37
HCRTR2 O43614 2/20 0.37
SYK P43405 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
BRD4 O60885 1/20 0.34
CXCR6 O00574 2/20 0.34
ADCY8 P40145 1/20 0.34
ADCY1 Q08828 1/20 0.34
PDE4C Q08493 1/20 0.33
CNR1 P21554 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
SCHEMBL15210331 0.90 FYN (0.39) HDAC4FYNHCRTR1SYKTAS1R3
SCHEMBL723893 0.90 TAS1R3 (0.38) HDAC4FYNHCRTR1HCRTR2SYK
SCHEMBL725259 0.90 FYN (0.39) HDAC4FYNSYKTAS1R3TAS1R1
SCHEMBL724179 0.90 FYN (0.39) HDAC4FYNSYKTAS1R3TAS1R1
SCHEMBL10267295 0.87 SYK (0.42) FYNSYKTAS1R3TAS1R1CXCR6
SCHEMBL10269029 0.87 SYK (0.42) FYNSYKTAS1R3TAS1R1CXCR6
SCHEMBL10269017 0.87 FYN (0.37) HDAC4FYNSYKTAS1R3TAS1R1
SCHEMBL16626217 0.86 CNR1 (0.39) FYNSYKBRD4CXCR6PDE4C
SCHEMBL723418 0.86 CNR1 (0.39) FYNSYKBRD4CXCR6PDE4C
SCHEMBL723866 0.85 TAS1R3 (0.40) HDAC4FYNSYKTAS1R3TAS1R1

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 HDAC4 2611/4885FYN 33/4885HCRTR1 3393/4885

“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.