SCHEMBL725258

SCHEMBL725258

COc1cc(-c2cc3nccc(-c4cc(OCC5CC5)cc(C(=O)O)c4)c3o2)cc(OC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4C Q08493 3/20 0.40
KDM5A P29375 2/20 0.36
KDM2B Q8NHM5 2/20 0.36
KDM4C Q9H3R0 2/20 0.36
KDM5B Q9UGL1 2/20 0.36
FABP1 P07148 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
PDE4A P27815 4/20 0.35
PDE4D Q08499 4/20 0.35
PDE3B Q13370 3/20 0.35
PDE3A Q14432 3/20 0.35
SYK P43405 2/20 0.35
BRD4 O60885 3/20 0.34
BRD2 P25440 1/20 0.34
CREBBP Q92793 1/20 0.34
KMO O15229 1/20 0.34

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
SCHEMBL723485 0.92 PDE4C (0.39) PDE4CPDE4APDE4DPDE3BPDE3A
SCHEMBL10268115 0.88 PDE4C (0.45) PDE4CBRD4
SCHEMBL722301 0.85 PDE4C (0.43) PDE4CBRD4
SCHEMBL723418 0.85 CNR1 (0.39) PDE4CSYKBRD4
SCHEMBL16626217 0.85 CNR1 (0.39) PDE4CSYKBRD4
SCHEMBL724824 0.83 PDE4C (0.41) PDE4CBRD4
SCHEMBL722753 0.81 NEK2 (0.47) PDE4C
SCHEMBL722851 0.80 PDE4C (0.46) PDE4C
SCHEMBL724038 0.80 PDE4C (0.41) PDE4CBRD4
SCHEMBL721632 0.79 PDE4C (0.41) PDE4CSYKBRD4

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 2858/4885KDM5A 669/4885KDM2B 512/4885

“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.