SCHEMBL725076

SCHEMBL725076

Cn1cc(-c2ccnc3cc(-c4ccc(OC(F)(F)F)cc4)oc23)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.45
BCR P11274 1/20 0.45
MAP3K7 O43318 2/20 0.45
TAB1 Q15750 2/20 0.45
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
CHRM5 P08912 1/20 0.41
BTK Q06187 1/20 0.41
AURKB Q96GD4 2/20 0.40
KDR P35968 1/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
IDH1 O75874 2/20 0.37
PRKDC P78527 1/20 0.37
SCN5A Q14524 1/20 0.37
AURKA O14965 1/20 0.37
INCENP Q9NQS7 1/20 0.37
TPX2 Q9ULW0 1/20 0.37
NTRK1 P04629 1/20 0.37
CSF1R P07333 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
SCHEMBL725506 0.87 KCNH2 (0.43) AURKBKDRCCNCCDK8AURKA
SCHEMBL724789 0.85 MET (0.40) ABL1MAP3K7TAB1BTKAURKB
SCHEMBL10268949 0.84 AURKB (0.46) MAP3K7TAB1AURKBKDRCCNC
SCHEMBL722236 0.81 AURKB (0.38) MAP3K7TAB1PDE3BPDE3ABTK
SCHEMBL723320 0.81 BRAF (0.42) AURKBKDRCCNCCDK8AURKA
SCHEMBL722072 0.80 KDR (0.46) AURKBKDRCCNCCDK8AURKA
SCHEMBL726778 0.80 AURKB (0.44) MAP3K7TAB1BTKAURKBKDR
SCHEMBL722107 0.79 GRM4 (0.51) KDR
SCHEMBL10267550 0.79 AURKB (0.40) MAP3K7TAB1BTKAURKBKDR
SCHEMBL724280 0.79 AURKB (0.38) MAP3K7TAB1PDE3BPDE3AAURKB

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 ABL1 66/4885BCR 122/4885MAP3K7 621/4885

“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.