SCHEMBL724240

SCHEMBL724240

COc1cc(-c2cc3nccc(-c4cccc(C(=O)N5CCN(C)CC5)c4)c3o2)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.49
PIK3CA P42336 3/20 0.49
PIK3CB P42338 3/20 0.49
PIK3CG P48736 3/20 0.49
KCNH2 Q12809 2/20 0.49
ERN1 O75460 1/20 0.48
POLB P06746 1/20 0.47
ALDH1A1 P00352 2/20 0.44
JAK2 O60674 2/20 0.44
JAK1 P23458 2/20 0.44
TYK2 P29597 2/20 0.44
JAK3 P52333 2/20 0.44
CYP1A2 P05177 1/20 0.44
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FYN P06241 1/20 0.42

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
SCHEMBL723230 0.91 JAK1 (0.54) PIK3CDERN1POLBALDH1A1JAK2
SCHEMBL30765331 0.91 JAK1 (0.54) PIK3CDERN1POLBALDH1A1JAK2
SCHEMBL723296 0.90 JAK2 (0.50) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL725175 0.86 ACVR1 (0.42) ALDH1A1JAK2JAK1TYK2JAK3
SCHEMBL722851 0.84 PDE4C (0.46) ERN1JAK2JAK1TYK2JAK3
SCHEMBL724085 0.84 PDE4C (0.45) ERN1JAK2JAK1TYK2JAK3
SCHEMBL27920235 0.83 JAK1 (0.40) PIK3CDPIK3CAALDH1A1JAK2JAK1
SCHEMBL722515 0.83 ACVR1 (0.47) ALDH1A1CYP1A2KDM4EFYN
SCHEMBL724106 0.82 PDE4C (0.44) JAK2JAK1TYK2JAK3L3MBTL1
SCHEMBL27261394 0.82 L3MBTL1 (0.43) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2

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 12 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
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-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
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 PIK3CD 675/4885PIK3CA 1186/4885PIK3CB 880/4885

“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.