SCHEMBL721787

SCHEMBL721787

C=CC(=O)Nc1ccc(Oc2ccnc3cc(-c4ccccc4)oc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 3/20 0.52
BTK Q06187 8/20 0.51
EGFR P00533 7/20 0.51
ERBB2 P04626 3/20 0.46
TEC P42680 1/20 0.46
TXK P42681 1/20 0.46
BLK P51451 1/20 0.46
BMX P51813 1/20 0.46
JAK3 P52333 1/20 0.46
ERBB4 Q15303 1/20 0.46
PDGFRA P16234 2/20 0.45
KDR P35968 1/20 0.45
KIT P10721 1/20 0.43
MAP2K7 O14733 1/20 0.42
AXL P30530 1/20 0.41
FYN P06241 1/20 0.40
SRC P12931 1/20 0.40
VCP P55072 1/20 0.40

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
SCHEMBL722213 0.91 BTK (0.59) TGM2BTKEGFRERBB2TEC
SCHEMBL723785 0.90 BTK (0.56) TGM2BTKEGFRERBB2TEC
SCHEMBL723014 0.90 EGFR (0.58) TGM2BTKEGFRJAK3MAP2K7
SCHEMBL722390 0.86 BTK (0.49) BTKEGFRERBB2TECTXK
SCHEMBL724014 0.84 NPC1 (0.47) EGFRERBB2ERBB4PDGFRAKDR
SCHEMBL723476 0.84 RNF4 (0.52) PDGFRAKDRKITMAP2K7AXL
SCHEMBL722852 0.83 EGFR (0.46) TGM2BTKEGFRJAK3FYN
SCHEMBL723500 0.83 BTK (0.48) TGM2BTKEGFRERBB2TEC
SCHEMBL723514 0.82 EGFR (0.47) BTKEGFRERBB2TECTXK
SCHEMBL722377 0.81 EGFR (0.49) BTKEGFRBLKJAK3PDGFRA

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
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-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

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 TGM2 3329/4885BTK 4/4885EGFR 1317/4885

“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.