SCHEMBL725211

SCHEMBL725211

Cn1cc(-c2ccc(-c3cc4nccc(-c5cncc(S(C)(=O)=O)c5)c4o3)cc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNC P24863 6/20 0.40
CDK8 P49336 6/20 0.40
LRRK2 Q5S007 1/20 0.40
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
LOX P28300 1/20 0.38
MAP3K7 O43318 1/20 0.37
TAB1 Q15750 1/20 0.37
KCNH2 Q12809 1/20 0.36
LOXL3 P58215 1/20 0.36
AOC3 Q16853 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
FLT3 P36888 2/20 0.36
BRD4 O60885 2/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 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
SCHEMBL724027 0.88 LRRK2 (0.48) CCNCCDK8LRRK2LOXMAP3K7
SCHEMBL723620 0.87 CYP3A4 (0.38) CCNCCDK8MAP3K7TAB1KCNH2
SCHEMBL722505 0.84 CCNC (0.42) CCNCCDK8LRRK2MKNK1MKNK2
SCHEMBL30765246 0.83 BRD4 (0.40) BRD4PIK3C3PIK3CDPIK3CAPIK3CB
SCHEMBL724751 0.83 MAP3K7 (0.47) LRRK2LOXMAP3K7TAB1KCNH2
SCHEMBL27260617 0.83 KCNH2 (0.47) LRRK2LOXMAP3K7TAB1KCNH2
SCHEMBL723758 0.82 DYRK1A (0.47) CCNCCDK8LRRK2MKNK1MKNK2
SCHEMBL15216719 0.82 CCNC (0.41) CCNCCDK8LRRK2MKNK1MKNK2
SCHEMBL725130 0.81 PIK3C3 (0.36) PIK3C3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL725049 0.80 PIM1 (0.41) FLT3

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 CCNC 2402/4885CDK8 2061/4885LRRK2 787/4885

“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.