SCHEMBL724280

SCHEMBL724280

Cn1cc(-c2ccnc3cc(-c4ccc([S+](C)[O-])cc4)oc23)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 4/20 0.38
MAP3K7 O43318 2/20 0.38
TAB1 Q15750 2/20 0.38
KDR P35968 1/20 0.38
AURKA O14965 3/20 0.38
INCENP Q9NQS7 3/20 0.38
TPX2 Q9ULW0 3/20 0.38
ALK Q9UM73 1/20 0.35
LRRK2 Q5S007 1/20 0.35
CCNC P24863 2/20 0.34
CDK8 P49336 2/20 0.34
MET P08581 6/20 0.33
MTOR P42345 1/20 0.33
ACVR1B P36896 1/20 0.33
TGFBR1 P36897 1/20 0.33
RET P07949 1/20 0.32
MAP4K4 O95819 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
ACVR1 Q04771 1/20 0.32

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
SCHEMBL10268949 0.86 AURKB (0.46) AURKBMAP3K7TAB1KDRAURKA
SCHEMBL724027 0.83 LRRK2 (0.48) AURKBMAP3K7TAB1AURKAINCENP
SCHEMBL725506 0.82 KCNH2 (0.43) AURKBKDRAURKAINCENPTPX2
SCHEMBL726778 0.81 AURKB (0.44) AURKBMAP3K7TAB1KDRAURKA
SCHEMBL722236 0.80 AURKB (0.38) AURKBMAP3K7TAB1KDRAURKA
SCHEMBL10267304 0.80 MAP4K4 (0.43) AURKBMAP3K7TAB1AURKAINCENP
SCHEMBL722505 0.80 CCNC (0.42) AURKBMAP3K7TAB1KDRAURKA
SCHEMBL722106 0.80 MTOR (0.47) AURKBMAP3K7TAB1KDRAURKA
SCHEMBL723621 0.80 MAPK10 (0.51) KDRLRRK2CCNCCDK8MET
SCHEMBL15209645 0.79 CCNC (0.39) AURKBAURKAINCENPTPX2ALK

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 11 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
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 1443/4885MAP3K7 621/4885TAB1 507/4885

“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.