SCHEMBL724754

SCHEMBL724754

c1cncc(-c2ccnc3cc(-c4ccc(N5CCOCC5)nc4)oc23)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.47
P4HTM Q9NXG6 1/20 0.45
PRKDC P78527 1/20 0.45
ATR Q13535 2/20 0.44
ATRIP Q8WXE1 1/20 0.44
PIK3CA P42336 2/20 0.43
PIK3CB P42338 2/20 0.43
PIK3CG P48736 2/20 0.43
LRRK2 Q5S007 2/20 0.43
PDE10A Q9Y233 1/20 0.42
TDO2 P48775 1/20 0.41
AOC3 Q16853 1/20 0.41

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
SCHEMBL724726 0.91 CNR2 (0.50) CNR2ATRPIK3CBPDE10ATDO2
SCHEMBL722381 0.89 PRKDC (0.47) P4HTMPRKDCATRATRIPPIK3CA
SCHEMBL721427 0.83 RET (0.49) CNR2ATRATRIPLRRK2PDE10A
SCHEMBL723929 0.78 PIM1 (0.50)
SCHEMBL4883336 0.78 KDM4E (0.57) CNR2ATRPIK3CAPIK3CBPIK3CG
SCHEMBL723388 0.77 KDM4E (0.51) PRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL15173334 0.74 TBK1 (0.67)
SCHEMBL723758 0.74 DYRK1A (0.47) PIK3CALRRK2
SCHEMBL723599 0.72 PIK3CA (0.43) PIK3CA
SCHEMBL725108 0.71 KDR (0.54)

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 9 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
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 CNR2 2678/4885P4HTM 2912/4885PRKDC 180/4885

“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.