SCHEMBL721887

SCHEMBL721887

O=C(CCl)Nc1cccc(-c2cc3nccc(-c4ccccc4)c3o2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MITF O75030 3/20 0.50
HTT P42858 3/20 0.50
LMNA P02545 3/20 0.50
MAPT P10636 3/20 0.50
RAB9A P51151 2/20 0.50
JAK3 P52333 2/20 0.50
POLB P06746 2/20 0.44
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 2/20 0.43
HPGD P15428 4/20 0.43
KDM4E B2RXH2 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
TSHR P16473 3/20 0.43
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42

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
SCHEMBL724774 0.89 CYP3A4 (0.53) ALDH1A1MAPTRAB9APOLBMAPK1
SCHEMBL723784 0.85 ALDH1A1 (0.53) ALDH1A1MITFHTTLMNAMAPT
SCHEMBL723189 0.83 ALDH1A1 (0.54) ALDH1A1MITFHTTLMNAMAPT
SCHEMBL723075 0.83 VSIR (0.43) ALDH1A1HTTSMN1; SMN2HPGDKDM4E
SCHEMBL723264 0.83 PLCG1 (0.51) JAK3
SCHEMBL722298 0.81 MITF (0.56) ALDH1A1MITFHTTLMNAMAPT
SCHEMBL723076 0.77 SCN9A (0.44) ALDH1A1MAPTJAK3POLBMAPK1
SCHEMBL723476 0.76 RNF4 (0.52) ALDH1A1MITFHTTLMNAMAPT
SCHEMBL27920129 0.76 CYP1A1 (0.48) ALDH1A1MAPTRAB9AJAK3MAPK1
SCHEMBL723301 0.75 CYP1A1 (0.43) ALDH1A1MAPTMAPK1SMN1; SMN2HPGD

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 ALDH1A1 1457/4885MITF 3712/4885HTT 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.