SCHEMBL721628

SCHEMBL721628

COC(=O)c1cc(O)cc(-c2ccnc3cc(-c4cc(OC)c(OC)c(OC)c4)oc23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4C Q08493 3/20 0.42
BRD4 O60885 4/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
CALCRL Q16602 1/20 0.39
PABPC1 P11940 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
ALOX5 P09917 2/20 0.39
PTGES O14684 1/20 0.39
CYP1A1 P04798 2/20 0.38
CYP1B1 Q16678 2/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
ESR2 Q92731 1/20 0.37
CYP1A2 P05177 1/20 0.37
FYN P06241 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
SCHEMBL724238 0.90 FYN (0.44) PDE4CBRD4ALDH1A1CYP3A4CALCRL
SCHEMBL721518 0.88 PDE4C (0.43) PDE4CBRD4ALDH1A1CYP3A4ALOX5
SCHEMBL724085 0.87 PDE4C (0.45) PDE4CBRD4ALOX5PTGESJAK2
SCHEMBL723532 0.87 PDE4C (0.40) PDE4CBRD4ALDH1A1CYP3A4CYP1A2
SCHEMBL724951 0.87 PDE4C (0.42) PDE4CBRD4ALDH1A1CYP3A4ALOX5
SCHEMBL723595 0.86 FYN (0.43) PDE4CBRD4CALCRLFYN
SCHEMBL723670 0.86 PDE4C (0.41) PDE4CBRD4ALDH1A1CYP3A4
SCHEMBL723093 0.84 PDE4C (0.55) PDE4CBRD4ALDH1A1CYP3A4CALCRL
SCHEMBL722941 0.84 CYP1A1 (0.40) PDE4CBRD4ALDH1A1CYP3A4ALOX5
SCHEMBL723485 0.83 PDE4C (0.39) PDE4CBRD4ALDH1A1JAK2JAK1

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 11 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
CN-103052640-A Furopyridine derivatives MERCK PATENT GMBH 2013-04-17 CN 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 2858/4885BRD4 1150/4885ALDH1A1 1457/4885

“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.