SCHEMBL15210331

SCHEMBL15210331

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.39
ABCB1 P08183 2/20 0.36
ABCC1 P33527 2/20 0.36
SYK P43405 1/20 0.36
BRD4 O60885 2/20 0.36
HCRTR1 O43613 3/20 0.36
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
TAS1R2 Q8TE23 2/20 0.35
HDAC4 P56524 1/20 0.35
PDE4C Q08493 1/20 0.35
CXCR6 O00574 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TACR1 P25103 2/20 0.34
TACR2 P21452 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.33
OPRK1 P41145 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
SCHEMBL725259 0.92 FYN (0.39) FYNSYKBRD4TAS1R3TAS1R1
SCHEMBL724179 0.92 FYN (0.39) FYNSYKBRD4TAS1R3TAS1R1
SCHEMBL722295 0.90 HDAC4 (0.39) FYNSYKBRD4HCRTR1TAS1R3
SCHEMBL10267295 0.89 SYK (0.42) FYNSYKTAS1R3TAS1R1PDE4C
SCHEMBL10269029 0.89 SYK (0.42) FYNSYKTAS1R3TAS1R1PDE4C
SCHEMBL723893 0.89 TAS1R3 (0.38) FYNSYKBRD4HCRTR1TAS1R3
SCHEMBL10269017 0.89 FYN (0.37) FYNSYKBRD4TAS1R3TAS1R1
SCHEMBL16438195 0.88 FYN (0.39) FYNSYKBRD4HCRTR1TAS1R3
SCHEMBL723418 0.88 CNR1 (0.39) FYNSYKBRD4PDE4CCXCR6
SCHEMBL16626217 0.88 CNR1 (0.39) FYNSYKBRD4PDE4CCXCR6

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2817313-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-09-07 EP claimed
US-20150038527-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-02-05 US claimed
EP-2817313-A1 FUROPYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2014-12-31 EP claimed
WO-2013124025-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-08-29 WO claimed
EP-2817313-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-09-07 EP disclosed
EP-2817313-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-09-07 EP disclosed
US-20150038527-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-02-05 US disclosed
US-20150038527-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-02-05 US disclosed
US-20150038527-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-02-05 US disclosed
EP-2817313-A1 FUROPYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2014-12-31 EP disclosed
WO-2013124025-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-08-29 WO disclosed
WO-2013124025-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-08-29 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-20150038527-A1 FUROPYRIDINE DERIVATIVES SYK, LYN, BTK FYN 31/4885ABCB1 777/4885ABCC1 494/4885

“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.