SCHEMBL725040

SCHEMBL725040

COc1cc(-c2cc3nccc(-c4c(-c5ccccc5)noc4C)c3o2)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.47
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
RAB9A P51151 1/20 0.45
BRD4 O60885 1/20 0.44
BRD2 P25440 1/20 0.44
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
PDE4C Q08493 1/20 0.40
NPC1 O15118 1/20 0.40
ATM Q13315 1/20 0.40
CYP1A1 P04798 1/20 0.40

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
SCHEMBL723002 0.88 PAX8 (0.44) PAX8KMT2AMEN1RAB9ABRD4
SCHEMBL722839 0.84 PDE4C (0.51) KMT2AMEN1BRD4KDM4ECYP1A2
SCHEMBL722271 0.81 PDE4C (0.48) BRD4CYP1A2PTGESALOX5PDE4C
SCHEMBL722312 0.81 JAK2 (0.48) KDM4EPTGESALOX5PDE4CCYP1A1
SCHEMBL724908 0.81 PDE4C (0.53) BRD4CYP1A2PTGESALOX5PDE4C
SCHEMBL723093 0.79 PDE4C (0.55) BRD4KDM4ECYP1A2PTGESALOX5
SCHEMBL724141 0.79 PDE4C (0.48) BRD4KDM4ECYP1A2PTGESALOX5
SCHEMBL16638609 0.78 PDE4C (0.50) KDM4EPTGESALOX5PDE4CCYP1A1
SCHEMBL15210354 0.78 PDE4C (0.44) BRD4CYP1A2CYP2C19PTGESALOX5
SCHEMBL723585 0.77 PDE4C (0.51) BRD4KDM4ECYP1A2PTGESALOX5

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 PAX8 4624/4885KMT2A 1208/4885MEN1 3375/4885

“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.