SCHEMBL722938

SCHEMBL722938

COc1cc(-c2cc3nccc(-c4cnc(N)cc4C)c3o2)cc(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4C Q08493 2/20 0.41
ADORA2A P29274 1/20 0.39
FYN P06241 6/20 0.39
BRD4 O60885 3/20 0.38
CYP1A1 P04798 3/20 0.38
CYP1B1 Q16678 3/20 0.38
DHFR P00374 1/20 0.38
CYP1A2 P05177 1/20 0.37
SYK P43405 1/20 0.37
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
MAP3K11 Q16584 1/20 0.36
LRRK2 Q5S007 1/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36

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
SCHEMBL724001 0.87 PDE4C (0.41) PDE4CFYNBRD4CYP1A1CYP1B1
SCHEMBL724037 0.84 RPS6KA2 (0.43) PDE4CADORA2ABRD4CYP1A1CYP1B1
SCHEMBL723093 0.83 PDE4C (0.55) PDE4CFYNBRD4CYP1A1CYP1B1
SCHEMBL722271 0.82 PDE4C (0.48) PDE4CADORA2AFYNBRD4CYP1A1
SCHEMBL724141 0.82 PDE4C (0.48) PDE4CADORA2ABRD4CYP1A1CYP1B1
SCHEMBL722596 0.82 PDE4C (0.50) PDE4CADORA2AFYNBRD4CYP1A1
SCHEMBL722937 0.81 FYN (0.48) PDE4CADORA2AFYNBRD4CYP1A1
SCHEMBL16638610 0.80 PDE4C (0.47) PDE4CBRD4CYP1A1CYP1B1CYP1A2
SCHEMBL15212572 0.80 BRD4 (0.47) PDE4CFYNBRD4CYP1A1CYP1B1
SCHEMBL723027 0.80 PTGES (0.47) PDE4CBRD4CYP1A1CYP1B1CYP1A2

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 2858/4885ADORA2A 1547/4885FYN 33/4885

“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.