SCHEMBL721399

SCHEMBL721399

COC(=O)c1cccc(-c2cc3nccc(-c4ccccc4)c3o2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 3/20 0.48
FAAH O00519 2/20 0.47
AXL P30530 1/20 0.46
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
PRKDC P78527 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
KDM6B O15054 1/20 0.43
KDM5C P41229 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43
KDM3A Q9Y4C1 1/20 0.43
CYP3A4 P08684 1/20 0.42
TGFBR1 P36897 1/20 0.42
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL723577 0.88 NEK1 (0.39) NEK1FAAHAXLGABRG2GABRB3
SCHEMBL724085 0.85 PDE4C (0.45) NEK1AXLHPGDSMN1; SMN2ERN1
SCHEMBL12503585 0.85 FYN (0.48) FAAHAXLNPC1RAB9AKDM4E
SCHEMBL724917 0.80 TOP1 (0.48) NPC1RAB9AKDM4ECYP3A4HPGD
SCHEMBL724952 0.79 JAK2 (0.43) KDM4EHTTHPGD
SCHEMBL12503587 0.78 CHEK2 (0.41) NPC1RAB9AKDM4EHTTHPGD
SCHEMBL721365 0.78 KDM5A (0.39) KDM4C
SCHEMBL723301 0.78 CYP1A1 (0.43) FAAHKDM4ECYP3A4ALOX15HPGD
SCHEMBL722851 0.78 PDE4C (0.46) ERN1
SCHEMBL722854 0.77 FAAH (0.41) FAAHNPC1RAB9AKDM4ESMN1; 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 14 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
CN-103052640-A Furopyridine derivatives MERCK PATENT GMBH 2013-04-17 CN 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
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 NEK1 2232/4885FAAH 3643/4885AXL 390/4885

“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.