SCHEMBL721276

SCHEMBL721276

COc1cc(-c2cc3nccc(-c4cccc(C(=O)NC5CCN(C(=O)O)C5)c4)c3o2)cc(OC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.40
KDM5A P29375 4/20 0.40
FYN P06241 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK10 P53779 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
TSHR P16473 1/20 0.38
CXCR6 O00574 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
PTK2 Q05397 1/20 0.37
ERN1 O75460 1/20 0.36
SSTR5 P35346 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
SCHEMBL10268182 0.91 USP30 (0.51) USP30
SCHEMBL27920235 0.90 JAK1 (0.40) KDM5AALDH1A1TSHRJAK2JAK1
SCHEMBL723851 0.85 CFTR (0.49) USP30JAK2JAK1TYK2JAK3
SCHEMBL15210380 0.84 FYN (0.41) FYNCXCR6JAK2JAK1TYK2
SCHEMBL15220271 0.84 FYN (0.41) FYNCXCR6JAK2JAK1TYK2
SCHEMBL15220286 0.84 FYN (0.41) FYNCXCR6JAK2JAK1TYK2
SCHEMBL16438193 0.84 FYN (0.41) FYNCXCR6JAK2JAK1TYK2
SCHEMBL723539 0.84 MAPK1 (0.48) FYNCXCR6PTK2ERN1
SCHEMBL16817187 0.83 GAA (0.34) FYNCXCR6JAK2JAK1TYK2
SCHEMBL722851 0.82 PDE4C (0.46) FYNJAK2JAK1TYK2JAK3

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
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 USP30 2764/4885KDM5A 669/4885FYN 33/4885

“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.