SCHEMBL723293

SCHEMBL723293

COc1ccc(-c2cc3nccc(-c4cccc(NC(=O)c5cccc(C(F)(F)F)c5)c4C)c3o2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
THRB P10828 1/20 0.47
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.43
BRAF P15056 2/20 0.42
KDR P35968 3/20 0.42
DDR2 Q16832 1/20 0.42
AURKA O14965 1/20 0.42
MET P08581 1/20 0.42
PIK3CA P42336 1/20 0.42
TEK Q02763 1/20 0.42
MAPK14 Q16539 1/20 0.42
AURKB Q96GD4 1/20 0.42
SCD O00767 1/20 0.42
CD274 Q9NZQ7 3/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL723078 0.88 BTK (0.51) TP53HTTNPSR1RXFP1ALDH1A1
SCHEMBL722189 0.78 KDM4E (0.47) TP53HTTNPSR1ALDH1A1MAPT
SCHEMBL723558 0.74 ADORA2A (0.45) THRBALDH1A1MAPTABCG2
SCHEMBL724620 0.70 PDE4A (0.51) TP53THRBALDH1A1MAPTABCG2
SCHEMBL16817181 0.69 PDE4C (0.44) ALDH1A1KDRAURKAMETTEK
SCHEMBL13219942 0.69 KIT (0.64) TP53ALDH1A1GAABRAFKDR
SCHEMBL723532 0.69 PDE4C (0.40) ALDH1A1GAAABL1
SCHEMBL722396 0.68 MAOA (0.45) TP53ALDH1A1GAAKDRMET
SCHEMBL3941645 0.68 GAA (0.62) NPSR1RXFP1THRBPOLBALDH1A1
SCHEMBL10267551 0.68 TOP2A (0.46) NPSR1ALDH1A1MAPT

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 13 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
US-20130225569-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US disclosed
EP-2609100-A2 FUROPYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 EP disclosed
WO-2012025187-A2 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO 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 TP53 550/4885HTT 4737/4885NPSR1 1210/4885

“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.