SCHEMBL15210583

SCHEMBL15210583

COc1cc(-c2cc3nccc(-c4cccc(C(=O)N[C@@H]5CCCC[C@@H]5NC(C)=O)c4)c3o2)cc(OC)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.38
PDE4C Q08493 3/20 0.38
FYN P06241 3/20 0.37
GAA P10253 1/20 0.36
PTK2 Q05397 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
LDHA P00338 1/20 0.36
CXCR6 O00574 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
HCRTR1 O43613 4/20 0.35
HCRTR2 O43614 2/20 0.35
BRD4 O60885 1/20 0.35
TACR2 P21452 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
SCHEMBL15210502 0.92 CNR1 (0.41) ERN1PDE4CFYNGAAJAK2
SCHEMBL15210408 0.92 CNR1 (0.41) ERN1PDE4CFYNGAAJAK2
SCHEMBL15220282 0.92 CNR1 (0.41) ERN1PDE4CFYNGAAJAK2
SCHEMBL18081481 0.92 ERN1 (0.37) ERN1PDE4CFYNGAAPTK2
SCHEMBL10269029 0.91 SYK (0.42) ERN1PDE4CFYNGAAPTK2
SCHEMBL10267295 0.91 SYK (0.42) ERN1PDE4CFYNGAAPTK2
SCHEMBL15212625 0.91 JAK2 (0.38) ERN1PDE4CFYNGAAPTK2
SCHEMBL15210503 0.91 CNR1 (0.39) ERN1PDE4CFYNGAAJAK2
SCHEMBL15210602 0.91 CNR1 (0.39) ERN1PDE4CFYNGAAJAK2
SCHEMBL15220278 0.91 CNR1 (0.39) ERN1PDE4CFYNGAAJAK2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2817313-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-09-07 EP claimed
US-20150038527-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-02-05 US claimed
EP-2817313-A1 FUROPYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2014-12-31 EP claimed
WO-2013124025-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-08-29 WO claimed
EP-2817313-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-09-07 EP disclosed
EP-2817313-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-09-07 EP disclosed
US-20150038527-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-02-05 US disclosed
US-20150038527-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-02-05 US disclosed
WO-2013124025-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-08-29 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-20150038527-A1 FUROPYRIDINE DERIVATIVES SYK, LYN, BTK ERN1 1014/4885PDE4C 3343/4885FYN 31/4885

“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.