SCHEMBL723959

SCHEMBL723959

COC(=O)c1cc(-c2cc3nccc(Cl)c3o2)cc(OC)c1OC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.39
GAA P10253 2/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP1A1 P04798 3/20 0.37
CYP1B1 Q16678 3/20 0.37
CYP1A2 P05177 1/20 0.37
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
PTK2 Q05397 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
MAPK1 P28482 1/20 0.35
CALCRL Q16602 1/20 0.35
ESR2 Q92731 1/20 0.35

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
SCHEMBL15172962 0.87 GAA (0.42) GAAALDH1A1CYP1A1CYP1B1KDM4E
SCHEMBL721335 0.86 SYK (0.45) HPGDALDH1A1CYP3A4CYP1A1CYP1B1
SCHEMBL724952 0.85 JAK2 (0.43) HPGDALDH1A1CYP1A1CYP1B1KDM4E
SCHEMBL27920018 0.81 PDE4C (0.41) HPGDALDH1A1CYP3A4CYP1A1CYP1B1
SCHEMBL30765301 0.78 TNKS (0.45) HPGDGAAALDH1A1KDM4ETP53
SCHEMBL18339400 0.78 TNKS (0.45) HPGDGAAALDH1A1KDM4ETP53
SCHEMBL723457 0.78 CYP1A1 (0.36) ALDH1A1CYP3A4CYP1A1CYP1B1CYP1A2
SCHEMBL16429457 0.78 ALDH1A1 (0.44) HPGDGAAALDH1A1CYP3A4CYP1A1
SCHEMBL15216682 0.77 CNR2 (0.39) HPGDALDH1A1KDM4EMAPTCSNK2A2
SCHEMBL723271 0.77 PDE4A (0.50) HPGDALDH1A1CYP3A4CYP1A1CYP1B1

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
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
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

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 HPGD 4204/4885GAA 4140/4885ALDH1A1 1457/4885

“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.