SCHEMBL723587

SCHEMBL723587

Cn1cc(-c2ccnc3cc(-c4ccc(OCC(O)CN5CCCCC5)cc4)oc23)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
CYP2D6 P10635 3/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 3/20 0.47
POLB P06746 2/20 0.47
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
ABCB1 P08183 3/20 0.44
TSHR P16473 1/20 0.43
HIF1A Q16665 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
FGFR1 P11362 1/20 0.43
FGFR2 P21802 1/20 0.43
FGFR4 P22455 1/20 0.43
FGFR3 P22607 1/20 0.43
KDR P35968 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL725048 0.92 PKM (0.50) KDM4EKMT2AALDH1A1ABCB1TSHR
SCHEMBL722107 0.87 GRM4 (0.51) KDR
SCHEMBL16817171 0.80 PKM (0.49) KDM4EKMT2AALDH1A1ABCB1TSHR
SCHEMBL725506 0.79 KCNH2 (0.43) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL724789 0.78 MET (0.40) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL723320 0.77 BRAF (0.42) KDR
SCHEMBL10268949 0.77 AURKB (0.46) FGFR3KDR
SCHEMBL722072 0.77 KDR (0.46) KDR
SCHEMBL726778 0.76 AURKB (0.44) KDR
SCHEMBL725076 0.76 ABL1 (0.45) 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 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 ATM 1328/4885CYP2D6 2073/4885CYP2C19 2550/4885

“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.