SCHEMBL724026

SCHEMBL724026

COc1cc(-c2cc3nccc(-c4c[nH]c(=O)[nH]c4=O)c3o2)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.46
CYP1A1 P04798 2/20 0.40
CYP1B1 Q16678 2/20 0.40
CYP1A2 P05177 1/20 0.40
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
GSK3B P49841 2/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
GSK3A P49840 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
PDE4C Q08493 1/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
KDR P35968 2/20 0.38
FLT3 P36888 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL721481 0.82 TERT (0.53) BRD4CYP1A1CYP1B1CYP1A2PTGES
SCHEMBL723093 0.81 PDE4C (0.55) BRD4CYP1A1CYP1B1CYP1A2PTGES
SCHEMBL724059 0.81 PDE4C (0.42) BRD4CYP1A1CYP1B1CYP1A2PTGES
SCHEMBL10267530 0.80 KDR (0.50) BRD4CYP1A1CYP1B1PTGESALOX5
SCHEMBL722330 0.78 RPS6KA2 (0.48) BRD4CYP1A1CYP1B1CYP1A2PTGES
SCHEMBL15212549 0.78 KDR (0.47) BRD4CYP1A1CYP1B1CYP1A2PTGES
SCHEMBL723531 0.78 BRD4 (0.44) BRD4CYP1A1CYP1B1CYP1A2PTGES
SCHEMBL15210453 0.77 TERT (0.47) BRD4CYP1A1CYP1B1CYP1A2PTGES
SCHEMBL722839 0.77 PDE4C (0.51) BRD4CYP1A1CYP1B1CYP1A2PTGES
SCHEMBL10268962 0.77 BRD4 (0.46) BRD4CYP1A1CYP1B1CYP1A2PTGES

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 8 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
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US claimed
US-20130225569-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US 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
EP-2609100-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-24 EP 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 BRD4 1150/4885CYP1A1 452/4885CYP1B1 915/4885

“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.