SCHEMBL723558

SCHEMBL723558

COc1ccc(-c2cc3nccc(-c4cccc(N)c4C)c3o2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.45
PDE4A P27815 1/20 0.40
S1PR1 P21453 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
PDE4C Q08493 1/20 0.39
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
ABCB1 P08183 3/20 0.38
MEN1 O00255 3/20 0.38
MAPK1 P28482 3/20 0.38
KMT2A Q03164 3/20 0.38
HSD17B10 Q99714 3/20 0.38
ABCG2 Q9UNQ0 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
ABCC1 P33527 1/20 0.38
CYP1A1 P04798 3/20 0.38
CYP1B1 Q16678 3/20 0.38
KIT P10721 1/20 0.38

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
SCHEMBL724620 0.83 PDE4A (0.51) ADORA2APDE4APDE4CKDM4EALDH1A1
SCHEMBL12503589 0.78 ALDH1A1 (0.46) ADORA2AKDM4EALDH1A1CYP3A4MAPT
SCHEMBL16817181 0.77 PDE4C (0.44) ADORA2AADORA3PDE4CALDH1A1CYP3A4
SCHEMBL723271 0.77 PDE4A (0.50) PDE4AKDM4EALDH1A1ABCB1MEN1
SCHEMBL723078 0.76 BTK (0.51) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL722578 0.76 TLR8 (0.42) ADORA2APDE4APDE4CKDM4EALDH1A1
SCHEMBL723293 0.74 TP53 (0.47) ALDH1A1ABCG2MAPTTHRB
SCHEMBL15209002 0.73 MAPK14 (0.40) ADORA2AMAPK1HPGDRAB9ANPC1
SCHEMBL722271 0.73 PDE4C (0.48) ADORA2AADORA3PDE4CCYP1A1CYP1B1
SCHEMBL724141 0.73 PDE4C (0.48) ADORA2AADORA3PDE4CKDM4EALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20130225569-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US disclosed
EP-2609100-A2 FUROPYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 EP 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 ADORA2A 1547/4885PDE4A 2125/4885S1PR1 106/4885

“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.