SCHEMBL722906

SCHEMBL722906

N#Cc1ccc(-c2ccnc3cc(-c4ccc(CCO)cc4)oc23)cn1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.36
CHEK1 O14757 3/20 0.36
PDE10A Q9Y233 1/20 0.34
VHL P40337 1/20 0.34
MAPKAPK2 P49137 3/20 0.33
TNF P01375 1/20 0.33
MET P08581 1/20 0.33
KCNH2 Q12809 1/20 0.33
CDK1 P06493 4/20 0.32
KDR P35968 4/20 0.32
FAAH O00519 1/20 0.31
CES1 P23141 1/20 0.31
NCEH1 Q6PIU2 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL722186 0.87 CHEK1 (0.36) CHEK1PDE10AVHLTNFKCNH2
SCHEMBL15216713 0.84 USP7 (0.36) MAPKAPK2CDK1KDRFAAH
SCHEMBL724885 0.84 MAPKAPK2 (0.35) MAPKAPK2
SCHEMBL723622 0.83 MAPKAPK2 (0.35) PDE10AMAPKAPK2KCNH2
SCHEMBL723393 0.82 MAPKAPK2 (0.35) MAPKAPK2FAAH
SCHEMBL723333 0.81 MET (0.40) PDE10AMETKDR
SCHEMBL723599 0.81 PIK3CA (0.43) MAPKAPK2
SCHEMBL15216716 0.80 RPS6KA3 (0.38) GRM2HDAC1
SCHEMBL723017 0.80 SYK (0.38) MAPKAPK2KCNH2
SCHEMBL725000 0.80 MAT2A (0.36) GRM2PDE10AVHLTNFMET

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
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-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
US-20130225569-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US 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 GRM2 3188/4885CHEK1 1743/4885PDE10A 4105/4885

“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.