Sugi Predict

Sugi Predict / Compounds / SCHEMBL723539

SCHEMBL723539

SCHEMBL723539

COc1cc(-c2cc3nccc(-c4cccc(C(=O)NC5CCNC5)c4)c3o2)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ PDPK1 O15530 2/20 0.46
▸ FYN P06241 2/20 0.40
▸ PDE4C Q08493 2/20 0.38
▸ PRKCI P41743 1/20 0.38
▸ ERN1 O75460 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ KLKB1 P03952 2/20 0.38
▸ SUV39H2 Q9H5I1 1/20 0.38
▸ DGAT2 Q96PD7 2/20 0.37
▸ CXCR6 O00574 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ TOP2A P11388 1/20 0.37
▸ PTK2 Q05397 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
SCHEMBL15220286 0.86 FYN (0.41) FYNPDE4CERN1CXCR6
SCHEMBL15220271 0.86 FYN (0.41) FYNPDE4CERN1CXCR6
SCHEMBL16438193 0.86 FYN (0.41) FYNPDE4CERN1CXCR6
SCHEMBL15210380 0.86 FYN (0.41) FYNPDE4CERN1CXCR6
SCHEMBL721276 0.84 USP30 (0.40) FYNERN1CXCR6PTK2
SCHEMBL15210490 0.84 FYN (0.40) FYNPDE4CCXCR6PTK2
SCHEMBL15220282 0.83 CNR1 (0.41) FYNPDE4CERN1
SCHEMBL15210408 0.83 CNR1 (0.41) FYNPDE4CERN1
SCHEMBL15210602 0.83 CNR1 (0.39) FYNPDE4CERN1CXCR6
SCHEMBL15220278 0.83 CNR1 (0.39) FYNPDE4CERN1CXCR6

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 MAPK1 276/4885OPRK1 3711/4885PDPK1 1159/4885

“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.