SCHEMBL723490

SCHEMBL723490

Cn1cc(-c2ccnc3cc(-c4cccc(C(C)(C)O)c4)oc23)cn1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 7/20 0.38
AURKB Q96GD4 4/20 0.38
AURKA O14965 2/20 0.38
INCENP Q9NQS7 2/20 0.38
TPX2 Q9ULW0 2/20 0.38
MAP3K7 O43318 2/20 0.37
TAB1 Q15750 2/20 0.37
PIK3CD O00329 1/20 0.37
MET P08581 2/20 0.37
IRAK4 Q9NWZ3 4/20 0.36
MAPK1 P28482 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
KDR P35968 1/20 0.35
FYN P06241 1/20 0.34
ALK Q9UM73 1/20 0.34

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
SCHEMBL722236 0.89 AURKB (0.38) IRAK1AURKBAURKAINCENPTPX2
SCHEMBL10268949 0.83 AURKB (0.46) AURKBAURKAINCENPTPX2MAP3K7
SCHEMBL721974 0.83 MAP3K7 (0.44) IRAK1AURKBAURKAINCENPTPX2
SCHEMBL721430 0.82 AURKB (0.46) IRAK1AURKBAURKAINCENPTPX2
SCHEMBL10267292 0.82 FYN (0.48) IRAK1AURKBAURKAINCENPTPX2
SCHEMBL725386 0.81 PFKFB3 (0.39) IRAK1AURKBAURKAINCENPTPX2
SCHEMBL12503592 0.81 MAP3K7 (0.49) AURKBMAP3K7TAB1PIK3CDMET
SCHEMBL15209663 0.80 AURKB (0.37) IRAK1AURKBAURKAINCENPTPX2
SCHEMBL724751 0.80 MAP3K7 (0.47) IRAK1AURKBAURKAINCENPTPX2
SCHEMBL721370 0.79 GRM4 (0.38) IRAK1AURKBAURKAINCENPTPX2

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 10 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
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 IRAK1 7/4885AURKB 1443/4885AURKA 1987/4885

“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.