SCHEMBL723320

SCHEMBL723320

CN(C)CCOc1ccc(-c2cc3nccc(-c4cnn(C)c4)c3o2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.42
AURKA O14965 2/20 0.42
AURKB Q96GD4 2/20 0.42
INCENP Q9NQS7 2/20 0.42
TPX2 Q9ULW0 2/20 0.42
TGFBR1 P36897 2/20 0.41
KDR P35968 1/20 0.41
ACVR1 Q04771 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
WNT1 P04628 1/20 0.39
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
MET P08581 3/20 0.37
ACVR1B P36896 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
SCHEMBL722072 0.95 KDR (0.46) BRAFAURKAAURKBINCENPTPX2
SCHEMBL722107 0.85 GRM4 (0.51) TGFBR1KDRACVR1PRKAB1CLK2
SCHEMBL725506 0.84 KCNH2 (0.43) AURKAAURKBINCENPTPX2TGFBR1
SCHEMBL725014 0.83 ALDH1A1 (0.46) TGFBR1
SCHEMBL10268949 0.82 AURKB (0.46) AURKAAURKBINCENPTPX2TGFBR1
SCHEMBL725076 0.81 ABL1 (0.45) AURKAAURKBINCENPTPX2KDR
SCHEMBL724789 0.81 MET (0.40) AURKAAURKBINCENPTPX2KDR
SCHEMBL726778 0.79 AURKB (0.44) AURKAAURKBINCENPTPX2KDR
SCHEMBL10267309 0.78 MKNK1 (0.43) AURKAAURKBINCENPTPX2KDR
SCHEMBL723587 0.77 ATM (0.48) KDR

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 10 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
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 BRAF 586/4885AURKA 1987/4885AURKB 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.