SCHEMBL724751

SCHEMBL724751

Cn1cc(-c2ccnc3cc(-c4cccc(S(C)(=O)=O)c4)oc23)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 4/20 0.47
TAB1 Q15750 4/20 0.47
KCNH2 Q12809 3/20 0.47
TTK P33981 1/20 0.40
MAPK8 P45983 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
LRRK2 Q5S007 1/20 0.39
MET P08581 1/20 0.39
ACVR1 Q04771 1/20 0.38
BRD4 O60885 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
HTR6 P50406 1/20 0.38
PIK3CD O00329 2/20 0.38
LOX P28300 1/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
INCENP Q9NQS7 1/20 0.38
TPX2 Q9ULW0 1/20 0.38
IRAK1 P51617 1/20 0.37

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
SCHEMBL27260617 0.96 KCNH2 (0.47) MAP3K7TAB1KCNH2TTKMAPK8
SCHEMBL724027 0.89 LRRK2 (0.48) MAP3K7TAB1LOXL2LRRK2BRD4
SCHEMBL27260725 0.84 KCNH2 (0.40) MAP3K7TAB1KCNH2TTKMAPK8
SCHEMBL10268949 0.83 AURKB (0.46) MAP3K7TAB1LRRK2METBRD4
SCHEMBL725211 0.83 CCNC (0.40) MAP3K7TAB1KCNH2LOXL2LRRK2
SCHEMBL721974 0.83 MAP3K7 (0.44) MAP3K7TAB1LRRK2METAURKA
SCHEMBL30765233 0.82 MAP3K7 (0.39) MAP3K7TAB1KCNH2MAPK8LOXL2
SCHEMBL10267292 0.82 FYN (0.48) MAP3K7TAB1METAURKAAURKB
SCHEMBL30765309 0.81 ACVR1 (0.41) TTKMAPK8LOXL2ACVR1BRD4
SCHEMBL30765283 0.81 IRAK4 (0.38) MAP3K7TAB1TTKMAPK8LOXL2

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
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
EP-2609100-A2 FUROPYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 EP 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 MAP3K7 621/4885TAB1 507/4885KCNH2 1087/4885

“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.