SCHEMBL723997

SCHEMBL723997

COc1cc(-c2cc3nccc(-c4ccc(NC(=O)c5ccccc5)cc4)c3o2)cc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
ATM Q13315 1/20 0.48
TP53 P04637 2/20 0.48
PTGS2 P35354 1/20 0.48
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
IMPDH2 P12268 1/20 0.45
THRB P10828 1/20 0.44
FYN P06241 1/20 0.44
HTT P42858 1/20 0.44
NAMPT P43490 1/20 0.44
SMO Q99835 1/20 0.44

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
SCHEMBL722431 0.96 MEN1 (0.48) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL722396 0.87 MAOA (0.45) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL724009 0.85 PDE4C (0.41) MAPTKDM4EALDH1A1CYP3A4CYP2C9
SCHEMBL722753 0.84 NEK2 (0.47) ALDH1A1CYP3A4FYNPOLB
SCHEMBL722839 0.84 PDE4C (0.51) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL721518 0.83 PDE4C (0.43) MAPTALDH1A1CYP3A4FYN
SCHEMBL722851 0.82 PDE4C (0.46) FYN
SCHEMBL10267307 0.81 CFTR (0.46) MAPTMEN1KMT2AHPGDFYN
SCHEMBL724106 0.81 PDE4C (0.44) HPGDFYNMAOBSMN1; SMN2
SCHEMBL724085 0.81 PDE4C (0.45) HPGDFYNSMN1; SMN2

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 12 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
CN-103052640-A Furopyridine derivatives MERCK PATENT GMBH 2013-04-17 CN 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
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
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
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 MAPT 4861/4885MEN1 3375/4885KMT2A 1208/4885

“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.