SCHEMBL724027

SCHEMBL724027

Cn1cc(-c2ccnc3cc(-c4ccc(S(C)(=O)=O)cc4)oc23)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.48
MAP3K7 O43318 1/20 0.44
TAB1 Q15750 1/20 0.44
FLT3 P36888 2/20 0.41
CCNB2 O95067 2/20 0.40
CDK1 P06493 2/20 0.40
CCNB1 P14635 2/20 0.40
CDK5 Q00535 2/20 0.40
CDK5R1 Q15078 2/20 0.40
CCNB3 Q8WWL7 2/20 0.40
CCNT1 O60563 1/20 0.40
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
LOXL2 Q9Y4K0 4/20 0.40
LOX P28300 2/20 0.40
PIP4K2A P48426 1/20 0.39
PIP4K2B P78356 1/20 0.39
PIP4K2C Q8TBX8 1/20 0.39

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
SCHEMBL724751 0.89 MAP3K7 (0.47) LRRK2MAP3K7TAB1LOXL2LOX
SCHEMBL725211 0.88 CCNC (0.40) LRRK2MAP3K7TAB1FLT3LOXL2
SCHEMBL27260617 0.86 KCNH2 (0.47) LRRK2MAP3K7TAB1LOXL2LOX
SCHEMBL10268949 0.86 AURKB (0.46) LRRK2MAP3K7TAB1BRD4AURKA
SCHEMBL724280 0.83 AURKB (0.38) LRRK2MAP3K7TAB1AURKAAURKB
SCHEMBL10267304 0.83 MAP4K4 (0.43) MAP3K7TAB1BRD4AURKAAURKB
SCHEMBL725506 0.82 KCNH2 (0.43) FLT3CDK2AURKAAURKBINCENP
SCHEMBL726778 0.81 AURKB (0.44) LRRK2MAP3K7TAB1AURKAAURKB
SCHEMBL722236 0.80 AURKB (0.38) LRRK2MAP3K7TAB1PIP4K2CAURKA
SCHEMBL722106 0.80 MTOR (0.47) LRRK2MAP3K7TAB1AURKAAURKB

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
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 LRRK2 787/4885MAP3K7 621/4885TAB1 507/4885

“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.