SCHEMBL723260

SCHEMBL723260

COc1ccc(-c2ccnc3cc(-c4ccc(OCCO)cc4)oc23)cn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.39
RPS6KA3 P51812 1/20 0.38
HDAC6 Q9UBN7 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
FYN P06241 2/20 0.36
CYP2A6 P11509 1/20 0.36
RCE1 Q9Y256 1/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
TDO2 P48775 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
RET P07949 1/20 0.34
SYK P43405 1/20 0.33

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
SCHEMBL15216716 0.87 RPS6KA3 (0.38) RPS6KA3HDAC6FYNCYP2A6HSD17B1
SCHEMBL723328 0.86 BCHE (0.47) BCHEACHE
SCHEMBL723926 0.85 CA12 (0.34) TLR8
SCHEMBL723867 0.84 PRKAB2 (0.36) TLR8
SCHEMBL722137 0.84 MAT2A (0.45) RPS6KA3HDAC6FYNCYP2A6RCE1
SCHEMBL723496 0.84 SYK (0.38) TLR8TDO2SYK
SCHEMBL721951 0.83 CYP2D6 (0.34) TLR8CYP2A6
SCHEMBL722186 0.83 CHEK1 (0.36) RPS6KA3RET
SCHEMBL722171 0.82 CYP3A4 (0.45) CYP2A6
SCHEMBL15209542 0.81 MET (0.40) FYN

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 TLR8 158/4885RPS6KA3 482/4885HDAC6 2899/4885

“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.