SCHEMBL724101

SCHEMBL724101

Cn1cc(-c2ccnc3cc(-c4cccc(-c5cnsn5)c4)oc23)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 3/20 0.37
AURKA O14965 2/20 0.37
INCENP Q9NQS7 2/20 0.37
TPX2 Q9ULW0 2/20 0.37
IRAK4 Q9NWZ3 8/20 0.36
MAP3K7 O43318 1/20 0.35
KDR P35968 1/20 0.35
TAB1 Q15750 1/20 0.35
CLK1 P49759 2/20 0.35
CLK2 P49760 2/20 0.35
DYRK1A Q13627 2/20 0.35
HIPK1 Q86Z02 2/20 0.35
DYRK2 Q92630 2/20 0.35
HIPK2 Q9H2X6 2/20 0.35
HIPK3 Q9H422 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
DYRK1B Q9Y463 2/20 0.35
IRAK1 P51617 9/20 0.35
GSK3B P49841 1/20 0.34
HIPK4 Q8NE63 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
SCHEMBL15209016 0.85 CYP1A2 (0.34) MAP3K7TAB1
SCHEMBL10268949 0.82 AURKB (0.46) AURKBAURKAINCENPTPX2MAP3K7
SCHEMBL721974 0.81 MAP3K7 (0.44) AURKBAURKAINCENPTPX2IRAK4
SCHEMBL724102 0.81 AURKB (0.38) AURKBAURKAINCENPTPX2MAP3K7
SCHEMBL10267292 0.80 FYN (0.48) AURKBAURKAINCENPTPX2IRAK4
SCHEMBL725386 0.80 PFKFB3 (0.39) AURKBAURKAINCENPTPX2IRAK4
SCHEMBL12503592 0.79 MAP3K7 (0.49) AURKBIRAK4MAP3K7KDRTAB1
SCHEMBL721430 0.79 AURKB (0.46) AURKBAURKAINCENPTPX2IRAK4
SCHEMBL723490 0.78 IRAK1 (0.38) AURKBAURKAINCENPTPX2IRAK4
SCHEMBL724751 0.78 MAP3K7 (0.47) AURKBAURKAINCENPTPX2MAP3K7

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 6 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

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 AURKB 1443/4885AURKA 1987/4885INCENP 2945/4885

“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.