SCHEMBL723078

SCHEMBL723078

COc1ccc(-c2cc3nccc(-c4cccc(NC(=O)c5ccc(C(C)(C)C)cc5)c4C)c3o2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 0.51
NPSR1 Q6W5P4 3/20 0.49
TP53 P04637 2/20 0.49
HTT P42858 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
NR1H4 Q96RI1 2/20 0.45
MAPT P10636 4/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
PABPC1 P11940 1/20 0.43
EIF4H Q15056 1/20 0.43
CD274 Q9NZQ7 2/20 0.43
LMNA P02545 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
PDCD1 Q15116 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL723293 0.88 TP53 (0.47) NPSR1TP53HTTRXFP1MAPT
SCHEMBL723052 0.83 BTK (0.58) BTK
SCHEMBL722189 0.81 KDM4E (0.47) BTKNPSR1TP53HTTMAPT
SCHEMBL723558 0.76 ADORA2A (0.45) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL15720667 0.73 BTK (0.60) BTKNPSR1TP53NR1H4MAPT
SCHEMBL724620 0.72 PDE4A (0.51) TP53MAPTKDM4EALDH1A1KMT2A
SCHEMBL722431 0.71 MEN1 (0.48) TP53HTTMAPTKDM4EALDH1A1
SCHEMBL16817181 0.70 PDE4C (0.44) ALDH1A1
SCHEMBL17645699 0.70 BTK (0.53) BTKNR1H4ALDH1A1KMT2AMEN1
SCHEMBL10267551 0.69 TOP2A (0.46) NPSR1MAPTKDM4EALDH1A1HSD17B10

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-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
US-20130225569-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 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 BTK 4/4885NPSR1 1210/4885TP53 550/4885

“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.