SCHEMBL724824

SCHEMBL724824

COc1cc(-c2cc3nccc(-c4cc(OC(F)(F)F)cc(C(=O)O)c4)c3o2)cc(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4C Q08493 3/20 0.41
LCLAT1 Q6UWP7 1/20 0.37
MAPT P10636 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PIK3R5 Q8WYR1 1/20 0.36
BRD4 O60885 3/20 0.36
CTSA P10619 1/20 0.36
HPSE Q9Y251 2/20 0.35
AURKA O14965 1/20 0.35
TPX2 Q9ULW0 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
RPS6KA2 Q15349 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 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
SCHEMBL723670 0.93 PDE4C (0.41) PDE4CLCLAT1MAPTBRD4ALDH1A1
SCHEMBL10268115 0.91 PDE4C (0.45) PDE4CBRD4ALDH1A1CYP3A4TUBB4A
SCHEMBL722301 0.87 PDE4C (0.43) PDE4CMAPTBRD4ALDH1A1CYP3A4
SCHEMBL724038 0.87 PDE4C (0.41) PDE4CBRD4CTSAALDH1A1CYP3A4
SCHEMBL725258 0.83 PDE4C (0.40) PDE4CBRD4
SCHEMBL722753 0.83 NEK2 (0.47) PDE4CPIK3CGALDH1A1CYP3A4TUBB4A
SCHEMBL723893 0.82 TAS1R3 (0.38) PDE4CLCLAT1MAPTPIK3CDPIK3R1
SCHEMBL722851 0.82 PDE4C (0.46) PDE4CTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL724951 0.81 PDE4C (0.42) PDE4CMAPTBRD4ALDH1A1CYP3A4
SCHEMBL723532 0.81 PDE4C (0.40) PDE4CBRD4ALDH1A1CYP3A4TUBB4A

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
CN-103052640-A Furopyridine derivatives MERCK PATENT GMBH 2013-04-17 CN 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
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 PDE4C 2858/4885LCLAT1 526/4885MAPT 4861/4885

“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.