SCHEMBL723334

SCHEMBL723334

CN1CCOc2cc(-c3ccnc4cc(-c5ccc(CCO)cc5)oc34)cnc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.39
SYK P43405 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.36
CYP11B2 P19099 4/20 0.35
IDH1 O75874 1/20 0.34
CYP11B1 P15538 1/20 0.33
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
PDCD1 Q15116 2/20 0.31
CD274 Q9NZQ7 2/20 0.31
MAPKAPK2 P49137 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
RRM1 P23921 1/20 0.30
RRM2B Q7LG56 1/20 0.30
FASN P49327 1/20 0.30

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
SCHEMBL15209725 0.89 GRM5 (0.43) GRM5SYKIRAK4CYP11B2IDH1
SCHEMBL15209782 0.85 PIK3CA (0.43) GRM5SYKPIK3CA
SCHEMBL15209048 0.84 GRM5 (0.38) GRM5SYKIRAK4CYP11B2IDH1
SCHEMBL726961 0.82 SYK (0.38) GRM5SYKIRAK4CYP11B2IDH1
SCHEMBL723324 0.81 GRM5 (0.39) GRM5SYKIRAK4CYP11B2IDH1
SCHEMBL724976 0.81 ACVR1 (0.44) GRM5
SCHEMBL15209357 0.81 ESR1 (0.41) GRM5SYK
SCHEMBL724201 0.81 GRM5 (0.36) GRM5SYKIRAK4CYP11B2IDH1
SCHEMBL724885 0.76 MAPKAPK2 (0.35) MAPKAPK2
SCHEMBL723622 0.75 MAPKAPK2 (0.35) MTORMAPKAPK2

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 GRM5 3961/4885SYK 1/4885IRAK4 13/4885

“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.