SCHEMBL723296

SCHEMBL723296

COc1cc(-c2cc3nccc(-c4ccc(C(=O)N5CCN(C)CC5)cc4)c3o2)cc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.50
JAK1 P23458 2/20 0.50
TYK2 P29597 2/20 0.50
JAK3 P52333 2/20 0.50
POLB P06746 2/20 0.50
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CFTR P13569 3/20 0.44
CYP1A2 P05177 1/20 0.44
KCNH2 Q12809 2/20 0.44
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
TNKS O95271 1/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
ACVR1 Q04771 1/20 0.41
SYK P43405 1/20 0.41

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
SCHEMBL724240 0.90 PIK3CD (0.49) JAK2JAK1TYK2JAK3POLB
SCHEMBL722753 0.83 NEK2 (0.47) JAK2JAK1TYK2JAK3POLB
SCHEMBL721518 0.83 PDE4C (0.43) JAK2JAK1TYK2JAK3ALDH1A1
SCHEMBL723230 0.81 JAK1 (0.54) JAK2JAK1TYK2JAK3POLB
SCHEMBL30765331 0.81 JAK1 (0.54) JAK2JAK1TYK2JAK3POLB
SCHEMBL724009 0.81 PDE4C (0.41) JAK2JAK1TYK2JAK3ALDH1A1
SCHEMBL30765219 0.79 CFTR (0.47) JAK2JAK1TYK2JAK3CFTR
SCHEMBL723093 0.79 PDE4C (0.55) JAK2JAK1TYK2JAK3ALDH1A1
SCHEMBL16638610 0.78 PDE4C (0.47) JAK2JAK1TYK2JAK3ALDH1A1
SCHEMBL722515 0.78 ACVR1 (0.47) ALDH1A1CYP1A2ACVR1

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 JAK2 14/4885JAK1 25/4885TYK2 40/4885

“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.