SCHEMBL723324

SCHEMBL723324

CN1CCOc2cc(-c3ccnc4cc(-c5ccc(OC(F)F)cc5)oc34)cnc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.39
TNIK Q9UKE5 1/20 0.38
SYK P43405 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
MAT2A P31153 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
RRM1 P23921 1/20 0.34
RRM2B Q7LG56 1/20 0.34
IDH1 O75874 1/20 0.34
CYP11B2 P19099 3/20 0.32
CYP11B1 P15538 1/20 0.32
MAP4K1 Q92918 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
MET P08581 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
SCHEMBL15209725 0.86 GRM5 (0.43) GRM5SYKIRAK4IDH1CYP11B2
SCHEMBL15209357 0.84 ESR1 (0.41) GRM5SYK
SCHEMBL15209048 0.83 GRM5 (0.38) GRM5SYKIRAK4IDH1CYP11B2
SCHEMBL726961 0.81 SYK (0.38) GRM5SYKIRAK4CHRM2CHRM1
SCHEMBL723334 0.81 GRM5 (0.39) GRM5SYKIRAK4CHRM2CHRM1
SCHEMBL724976 0.81 ACVR1 (0.44) GRM5
SCHEMBL724201 0.80 GRM5 (0.36) GRM5SYKIRAK4CHRM2CHRM1
SCHEMBL724789 0.78 MET (0.40) SYKMAT2AMET
SCHEMBL15209782 0.78 PIK3CA (0.43) GRM5SYKMAP4K1MET
SCHEMBL723095 0.76 MAT2A (0.34) MAT2A

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 3961/4885TNIK 403/4885SYK 1/4885

“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.