SCHEMBL725175

SCHEMBL725175

COc1cc(-c2cc3nccc(-c4cccc(C(=O)N5CCC(N)C5)c4)c3o2)cc(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 1/20 0.42
JAK1 P23458 3/20 0.40
TYK2 P29597 3/20 0.40
JAK2 O60674 2/20 0.40
JAK3 P52333 2/20 0.40
PDE2A O00408 1/20 0.40
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.38
PROKR1 Q8TCW9 1/20 0.38
PDE4C Q08493 1/20 0.38
HPGD P15428 1/20 0.38
PADI4 Q9UM07 1/20 0.37
TSHR P16473 2/20 0.37
FYN P06241 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
KDM1A O60341 1/20 0.36

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
SCHEMBL27920235 0.88 JAK1 (0.40) JAK1TYK2JAK2JAK3PDE2A
SCHEMBL723230 0.86 JAK1 (0.54) JAK1TYK2JAK2JAK3HPGD
SCHEMBL724240 0.86 PIK3CD (0.49) JAK1TYK2JAK2JAK3FYN
SCHEMBL30765331 0.86 JAK1 (0.54) JAK1TYK2JAK2JAK3HPGD
SCHEMBL723851 0.85 CFTR (0.49) JAK1TYK2JAK2JAK3
SCHEMBL18081480 0.82 PDE4C (0.38) JAK1TYK2JAK2JAK3PDE4C
SCHEMBL721276 0.82 USP30 (0.40) JAK1TYK2JAK2JAK3TSHR
SCHEMBL722851 0.81 PDE4C (0.46) JAK1TYK2JAK2JAK3PDE4C
SCHEMBL15220271 0.81 FYN (0.41) JAK1TYK2JAK2JAK3PDE4C
SCHEMBL15210380 0.81 FYN (0.41) JAK1TYK2JAK2JAK3PDE4C

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
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
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

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 ACVR1 2178/4885JAK1 25/4885TYK2 40/4885

“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.