SCHEMBL722236

SCHEMBL722236

Cn1cc(-c2ccnc3cc(-c4ccc(C(C)(C)O)cc4)oc23)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 4/20 0.38
AURKA O14965 2/20 0.38
INCENP Q9NQS7 2/20 0.38
TPX2 Q9ULW0 2/20 0.38
MAPK1 P28482 1/20 0.37
MAP3K7 O43318 2/20 0.36
TAB1 Q15750 2/20 0.36
KDR P35968 1/20 0.36
MET P08581 3/20 0.36
BTK Q06187 3/20 0.35
ALK Q9UM73 1/20 0.35
FGFR4 P22455 1/20 0.35
FGFR3 P22607 1/20 0.35
LRRK2 Q5S007 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
MAP4K4 O95819 1/20 0.34
CCNC P24863 2/20 0.34
CDK8 P49336 2/20 0.34
ALOX5AP P20292 1/20 0.34
NQO2 P16083 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
SCHEMBL723490 0.89 IRAK1 (0.38) AURKBAURKAINCENPTPX2MAPK1
SCHEMBL10268949 0.86 AURKB (0.46) AURKBAURKAINCENPTPX2MAPK1
SCHEMBL723683 0.86 PRKAB2 (0.34) AURKAKDRALKFGFR3LRRK2
SCHEMBL726778 0.83 AURKB (0.44) AURKBAURKAINCENPTPX2MAP3K7
SCHEMBL10267304 0.83 MAP4K4 (0.43) AURKBAURKAINCENPTPX2MAPK1
SCHEMBL725506 0.82 KCNH2 (0.43) AURKBAURKAINCENPTPX2KDR
SCHEMBL15209645 0.81 CCNC (0.39) AURKBAURKAINCENPTPX2MAPK1
SCHEMBL16817163 0.81 TGFBR1 (0.34)
SCHEMBL15209663 0.81 AURKB (0.37) AURKBAURKAINCENPTPX2MAPK1
SCHEMBL725076 0.81 ABL1 (0.45) 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 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 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.