SCHEMBL722189

SCHEMBL722189

COc1ccc(-c2cc3nccc(-c4cccc(NC(=O)c5cc6c(s5)CCCC6)c4C)c3o2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 2/20 0.47
BTK Q06187 13/20 0.46
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
MAPT P10636 3/20 0.44
HTT P42858 1/20 0.44
GPR55 Q9Y2T6 2/20 0.42
LMNA P02545 1/20 0.42
CNR1 P21554 2/20 0.42
TP53 P04637 2/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL722378 0.84 BTK (0.52) KDM4ERAB9ABTKALDH1A1NPSR1
SCHEMBL723078 0.81 BTK (0.51) KDM4EBTKALDH1A1MAPTHTT
SCHEMBL723293 0.78 TP53 (0.47) ALDH1A1MAPTHTTTP53NPSR1
SCHEMBL723558 0.72 ADORA2A (0.45) KDM4ESMN1; SMN2RAB9AALDH1A1HPGD
SCHEMBL1322768 0.71 BTK (0.52) KDM4ESMN1; SMN2RAB9ABTKALDH1A1
SCHEMBL724620 0.68 PDE4A (0.51) KDM4ESMN1; SMN2RAB9AALDH1A1HPGD
SCHEMBL723052 0.68 BTK (0.58) BTK
SCHEMBL28928116 0.67 ALDH1A1 (0.59) KDM4ESMN1; SMN2RAB9ABTKALDH1A1
SCHEMBL16817181 0.67 PDE4C (0.44) ALDH1A1
SCHEMBL14273101 0.66 BTK (0.57) BTK

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
EP-2609100-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-24 EP disclosed
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
EP-2609100-A2 FUROPYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 EP disclosed
WO-2012025187-A2 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO 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 KDM4E 1009/4885SMN1; SMN2 4592/4885RAB9A 2418/4885

“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.