SCHEMBL722941

SCHEMBL722941

COC(=O)c1ccc(OC)c(-c2ccnc3cc(-c4cc(OC)c(OC)c(OC)c4)oc23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.40
CYP1B1 Q16678 2/20 0.40
CYP1A2 P05177 1/20 0.40
PDE4C Q08493 1/20 0.39
BRD4 O60885 4/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39
PDGFRB P09619 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
RPS6KA2 Q15349 2/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
FYN P06241 1/20 0.38
CTSA P10619 1/20 0.37
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37

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
SCHEMBL724404 0.91 KDM4C (0.42) CYP1A1CYP1B1CYP1A2PDE4CBRD4
SCHEMBL725317 0.90 FYN (0.45) CYP1A1CYP1B1CYP1A2PDE4CBRD4
SCHEMBL721518 0.90 PDE4C (0.43) CYP1A1CYP1B1CYP1A2PDE4CBRD4
SCHEMBL724085 0.87 PDE4C (0.45) PDE4CBRD4PTGESALOX5FYN
SCHEMBL723977 0.86 CFTR (0.42) BRD4MAPTFYN
SCHEMBL721628 0.84 PDE4C (0.42) CYP1A1CYP1B1CYP1A2PDE4CBRD4
SCHEMBL723398 0.84 CALCRL (0.50) CYP1A1CYP1B1CYP1A2PDE4CBRD4
SCHEMBL16429205 0.84 KMT2A (0.41) BRD4FYN
SCHEMBL27920018 0.84 PDE4C (0.41) CYP1A1CYP1B1CYP1A2PDE4CBRD4
SCHEMBL723070 0.83 PTPN1 (0.42) CYP1A1CYP1B1CYP1A2PDE4CBRD4

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 10 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
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
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 CYP1A1 452/4885CYP1B1 915/4885CYP1A2 908/4885

“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.