SCHEMBL723453

SCHEMBL723453

Cn1cc(-c2ccc(-c3cc4nccc(-c5cncs5)c4o3)cc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 7/20 0.40
CDK8 P49336 7/20 0.40
AURKB Q96GD4 3/20 0.39
MAP3K7 O43318 1/20 0.39
KDR P35968 1/20 0.39
TAB1 Q15750 1/20 0.39
DYRK1A Q13627 1/20 0.39
ALK Q9UM73 1/20 0.37
ACVR1 Q04771 1/20 0.35
AURKA O14965 2/20 0.35
INCENP Q9NQS7 2/20 0.35
TPX2 Q9ULW0 2/20 0.35
MET P08581 1/20 0.35
LRRK2 Q5S007 2/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PI4KA P42356 1/20 0.34

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
SCHEMBL725075 0.85 MET (0.38) CCNCCDK8MET
SCHEMBL722505 0.84 CCNC (0.42) CCNCCDK8AURKBMAP3K7KDR
SCHEMBL723758 0.82 DYRK1A (0.47) CCNCCDK8AURKBMAP3K7KDR
SCHEMBL723385 0.82 MTOR (0.43) CCNCCDK8AURKBMAP3K7KDR
SCHEMBL15209645 0.81 CCNC (0.39) CCNCCDK8AURKBALKACVR1
SCHEMBL10268949 0.80 AURKB (0.46) CCNCCDK8AURKBMAP3K7KDR
SCHEMBL721690 0.78 AURKB (0.38) CCNCCDK8AURKBALKACVR1
SCHEMBL721482 0.78 ACVR1 (0.44) KDRACVR1FLT3
SCHEMBL15209552 0.78 FGFR1 (0.41) CCNCCDK8METPIK3CDPIK3CA
SCHEMBL15216719 0.78 CCNC (0.41) CCNCCDK8ALKLRRK2MKNK1

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 7 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
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-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 2061/4885AURKB 1443/4885

“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.