SCHEMBL723075

SCHEMBL723075

O=C(CCl)NCc1cccc(-c2cc3nccc(-c4ccccc4)c3o2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VSIR Q9H7M9 5/20 0.43
AOC3 Q16853 2/20 0.43
HTT P42858 2/20 0.42
PLA2G1B P04054 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PADI3 Q9ULW8 3/20 0.41
PADI1 Q9ULC6 2/20 0.41
PADI4 Q9UM07 2/20 0.41
PADI2 Q9Y2J8 1/20 0.41
TACR1 P25103 1/20 0.39
SRC P12931 2/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
ABL1 P00519 1/20 0.37

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
SCHEMBL721613 0.90 VSIR (0.43) VSIRAOC3HTTPLA2G1BL3MBTL1
SCHEMBL724108 0.85 EGFR (0.47) VSIRAOC3
SCHEMBL723499 0.84 HTT (0.43) AOC3HTTPLA2G1BL3MBTL1ATG4B
SCHEMBL721887 0.83 ALDH1A1 (0.50) HTTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL723961 0.78 CYP1A2 (0.40) VSIR
SCHEMBL723563 0.76 EGFR (0.41) ALDH1A1TACR1KDM4EHPGD
SCHEMBL722113 0.75 PDE4C (0.44) SMN1; SMN2KDM4EHPGD
SCHEMBL724774 0.75 CYP3A4 (0.53) L3MBTL1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL27920129 0.74 CYP1A1 (0.48) ALDH1A1KDM4EHPGD
SCHEMBL723301 0.74 CYP1A1 (0.43) ALDH1A1SMN1; SMN2KDM4EHPGD

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 13 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
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
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 VSIR 1751/4885AOC3 3472/4885HTT 4737/4885

“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.