SCHEMBL723072

SCHEMBL723072

COc1ccc(-c2cc3nccc(-c4ccccc4)c3o2)cc1NC(=O)[C@@H]1C[C@@H](O)CN1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.40
VCP P55072 1/20 0.37
KDM4E B2RXH2 4/20 0.35
HSD17B10 Q99714 2/20 0.35
CCNT1 O60563 4/20 0.35
CDK9 P50750 4/20 0.35
PIK3CG P48736 1/20 0.35
CAMKK2 Q96RR4 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
CTSC P53634 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 2/20 0.34
ACLY P53396 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.33
HPGD P15428 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
SCHEMBL16817166 0.88 VCP (0.36) LTB4RVCPKDM4EHSD17B10PIK3CG
SCHEMBL723883 0.86 AAK1 (0.41) LTB4RVCPKDM4EHSD17B10PIK3CG
SCHEMBL721425 0.84 CYP3A4 (0.33) KDM4ECCNT1CDK9ALDH1A1LMNA
SCHEMBL16817233 0.79 KDM4E (0.36) LTB4RVCPKDM4EHSD17B10PIK3CG
SCHEMBL16817185 0.73 CYP3A4 (0.32) KDM4EHSD17B10ALDH1A1MAPTNPC1
SCHEMBL12503588 0.73 IKBKB (0.43) KDM4EHSD17B10CCNT1CDK9PIK3CG
SCHEMBL12503589 0.71 ALDH1A1 (0.46) KDM4EALDH1A1MAPTNPC1POLB
SCHEMBL724091 0.70 AAK1 (0.41) LMNAHPGD
SCHEMBL723076 0.70 SCN9A (0.44) HSD17B10ALDH1A1MAPTNPC1POLB
SCHEMBL721399 0.68 NEK1 (0.48) KDM4ECAMKK2NPC1HPGD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US 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
WO-2012025187-A2 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO 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 LTB4R 645/4885VCP 4703/4885KDM4E 1009/4885

“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.