SCHEMBL723329

SCHEMBL723329

CN(C)c1ccc(-c2ccnc3cc(-c4ccc(OC(F)F)cc4)oc23)cn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
APP P05067 7/20 0.36
HTT P42858 1/20 0.35
TDO2 P48775 1/20 0.35
MAP3K11 Q16584 1/20 0.34
TGFBR1 P36897 1/20 0.33
MAT2A P31153 2/20 0.32
SYK P43405 1/20 0.32
AURKB Q96GD4 1/20 0.32
PTGER4 P35408 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
BMPR1B O00238 1/20 0.32
ACVR1B P36896 1/20 0.32
ACVRL1 P37023 1/20 0.32
ACVR1 Q04771 1/20 0.32
KCNH2 Q12809 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
SCHEMBL723095 0.85 MAT2A (0.34) MAPTHTTMAT2APTGER4GSK3A
SCHEMBL10267284 0.84 MAOB (0.35) HTTMAT2APTGER4GSK3AGSK3B
SCHEMBL723496 0.84 SYK (0.38) MAPTAPPTDO2MAP3K11TGFBR1
SCHEMBL722137 0.84 MAT2A (0.45) TDO2MAT2A
SCHEMBL724906 0.84 CYP1A1 (0.35) TDO2MAT2APTGER4GSK3AGSK3B
SCHEMBL725000 0.82 MAT2A (0.36) MAPTMAT2APTGER4GSK3AGSK3B
SCHEMBL725015 0.82 CYP3A4 (0.42) GSK3AGSK3B
SCHEMBL724002 0.81 MAT2A (0.37) HTTMAT2APTGER4GSK3AGSK3B
SCHEMBL724789 0.79 MET (0.40) MAT2ASYKAURKBGSK3AGSK3B
SCHEMBL723017 0.79 SYK (0.38) MAPTAPPTDO2MAP3K11TGFBR1

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 7 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
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

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 MAPT 4861/4885APP 4386/4885HTT 4737/4885

“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.