SCHEMBL725069

SCHEMBL725069

COc1cc(-c2cc3nccc(-c4ccccc4N(C)C)c3o2)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4C Q08493 3/20 0.46
PTGES O14684 1/20 0.45
ALOX5 P09917 1/20 0.45
CYP1A1 P04798 3/20 0.41
CYP1B1 Q16678 3/20 0.41
SYK P43405 1/20 0.40
RPS6KA2 Q15349 2/20 0.40
BRD4 O60885 2/20 0.40
JAK2 O60674 3/20 0.39
JAK1 P23458 3/20 0.39
TYK2 P29597 3/20 0.39
JAK3 P52333 2/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL722312 0.85 JAK2 (0.48) PDE4CPTGESALOX5CYP1A1CYP1B1
SCHEMBL724141 0.85 PDE4C (0.48) PDE4CPTGESALOX5CYP1A1CYP1B1
SCHEMBL723790 0.84 PDE4C (0.47) PDE4CPTGESALOX5CYP1A1CYP1B1
SCHEMBL722839 0.84 PDE4C (0.51) PDE4CPTGESALOX5CYP1A1CYP1B1
SCHEMBL723093 0.84 PDE4C (0.55) PDE4CPTGESALOX5CYP1A1CYP1B1
SCHEMBL10267552 0.83 PDE4C (0.47) PDE4CPTGESALOX5CYP1A1CYP1B1
SCHEMBL723585 0.83 PDE4C (0.51) PDE4CPTGESALOX5CYP1A1CYP1B1
SCHEMBL10267652 0.83 CYP1A1 (0.54) PDE4CPTGESALOX5CYP1A1CYP1B1
SCHEMBL15210488 0.82 PDE4C (0.45) PDE4CCYP1A1CYP1B1SYKBRD4
SCHEMBL724908 0.81 PDE4C (0.53) PDE4CPTGESALOX5CYP1A1CYP1B1

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 10 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
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 PDE4C 2858/4885PTGES 2267/4885ALOX5 3168/4885

“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.