SCHEMBL15216716

SCHEMBL15216716

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.38
HDAC6 Q9UBN7 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HDAC1 Q13547 1/20 0.36
GRM2 Q14416 1/20 0.36
FYN P06241 2/20 0.36
CYP2A6 P11509 1/20 0.36
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
FGFR3 P22607 1/20 0.35
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
TDO2 P48775 1/20 0.34
MAPT P10636 2/20 0.34
CYP11B1 P15538 1/20 0.34
NOD1 Q9Y239 1/20 0.33
SYK P43405 1/20 0.33
FFAR4 Q5NUL3 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
SCHEMBL723260 0.87 TLR8 (0.39) RPS6KA3HDAC6FYNCYP2A6HSD17B1
SCHEMBL724885 0.84 MAPKAPK2 (0.35)
SCHEMBL723622 0.83 MAPKAPK2 (0.35)
SCHEMBL723017 0.83 SYK (0.38) HDAC6TDO2MAPTSYK
SCHEMBL723393 0.82 MAPKAPK2 (0.35) CYP2A6SYK
SCHEMBL15209542 0.81 MET (0.40) FYNFGFR3
SCHEMBL723599 0.81 PIK3CA (0.43) NPC1RAB9ACYP2A6CYP11B1
SCHEMBL722906 0.80 GRM2 (0.36) HDAC1GRM2
SCHEMBL725087 0.80 FYN (0.53) FYNPDGFRBPDGFRA
SCHEMBL722137 0.80 MAT2A (0.45) RPS6KA3HDAC6NPC1FYNCYP2A6

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 5 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-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 RPS6KA3 482/4885HDAC6 2899/4885NPC1 4244/4885

“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.