SCHEMBL723378

SCHEMBL723378

CCC(=O)Nc1cccc(-c2cc3nccc(Oc4ccc(Oc5ccccc5)cc4)c3o2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
TP53 P04637 2/20 0.46
USP2 O75604 1/20 0.46
CYP1A2 P05177 1/20 0.46
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 5/20 0.45
MAPT P10636 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
TSHR P16473 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43

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
SCHEMBL723786 0.98 CYP3A4 (0.48) CYP3A4CYP2D6CYP2C19MEN1KMT2A
SCHEMBL723570 0.93 CYP3A4 (0.46) CYP3A4CYP2D6CYP2C19MEN1KMT2A
SCHEMBL723189 0.91 ALDH1A1 (0.54) CYP3A4CYP2C19CYP1A2KDM4ENPC1
SCHEMBL724014 0.91 NPC1 (0.47) MEN1KMT2AKDM4ENPC1MAPT
SCHEMBL723784 0.89 ALDH1A1 (0.53) MEN1KMT2ATP53KDM4EHSD17B10
SCHEMBL723547 0.86 BTK (0.43) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL725600 0.85 BTK (0.49) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL721852 0.85 BTK (0.47) CYP3A4CYP2D6CYP2C19MEN1KMT2A
SCHEMBL721853 0.85 BTK (0.47) CYP3A4CYP2D6CYP2C19MEN1KMT2A
SCHEMBL722213 0.85 BTK (0.59) EGFRBTK

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 15 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
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 CYP3A4 2796/4885CYP2D6 2073/4885CYP2C19 2550/4885

“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.