SCHEMBL15210503

SCHEMBL15210503

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.39
ERN1 O75460 1/20 0.38
PDE4C Q08493 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
CXCR6 O00574 1/20 0.37
HCRTR1 O43613 6/20 0.37
HCRTR2 O43614 2/20 0.37
FYN P06241 2/20 0.37
TACR2 P21452 1/20 0.36
GAA P10253 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 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
SCHEMBL15210602 1.00 CNR1 (0.39) CNR1ERN1PDE4CJAK2JAK1
SCHEMBL15220278 1.00 CNR1 (0.39) CNR1ERN1PDE4CJAK2JAK1
SCHEMBL15220282 0.98 CNR1 (0.41) CNR1ERN1PDE4CJAK2JAK1
SCHEMBL15210502 0.98 CNR1 (0.41) CNR1ERN1PDE4CJAK2JAK1
SCHEMBL15210408 0.98 CNR1 (0.41) CNR1ERN1PDE4CJAK2JAK1
SCHEMBL15210583 0.91 ERN1 (0.38) ERN1PDE4CJAK2JAK1TYK2
SCHEMBL10267295 0.90 SYK (0.42) ERN1PDE4CJAK2JAK1TYK2
SCHEMBL10269029 0.90 SYK (0.42) ERN1PDE4CJAK2JAK1TYK2
SCHEMBL18081481 0.88 ERN1 (0.37) ERN1PDE4CJAK2JAK1TYK2
SCHEMBL15210490 0.88 FYN (0.40) PDE4CJAK2JAK1TYK2JAK3

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 8 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
US-20150038527-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-02-05 US disclosed
EP-2817313-A1 FUROPYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2014-12-31 EP 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 CNR1 2658/4885ERN1 1014/4885PDE4C 3343/4885

“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.