SCHEMBL724774

SCHEMBL724774

CCC(=O)Nc1cccc(-c2cc3nccc(-c4ccccc4)c3o2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C19 P33261 2/20 0.53
KDM4E B2RXH2 4/20 0.52
TP53 P04637 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
USP2 O75604 2/20 0.52
HSD17B10 Q99714 2/20 0.52
CYP1A2 P05177 1/20 0.52
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 2/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 1/20 0.47
MAP4K4 O95819 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 2/20 0.44
PTPN1 P18031 1/20 0.44

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
SCHEMBL721887 0.89 ALDH1A1 (0.50) CYP3A4CYP2D6CYP2C19KDM4ETP53
SCHEMBL722067 0.86 CYP3A4 (0.56) CYP3A4CYP2D6CYP2C19KDM4ETP53
SCHEMBL723786 0.85 CYP3A4 (0.48) CYP3A4CYP2D6CYP2C19KDM4ETP53
SCHEMBL723378 0.83 CYP3A4 (0.47) CYP3A4CYP2D6CYP2C19KDM4ETP53
SCHEMBL721613 0.83 VSIR (0.43) CYP3A4CYP2D6CYP2C19KDM4ETP53
SCHEMBL723264 0.83 PLCG1 (0.51) EGFR
SCHEMBL723570 0.81 CYP3A4 (0.46) CYP3A4CYP2D6CYP2C19KDM4ETP53
SCHEMBL721399 0.77 NEK1 (0.48) CYP3A4KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL723076 0.77 SCN9A (0.44) USP2HSD17B10NPC1SMN1; SMN2MAPT
SCHEMBL724014 0.76 NPC1 (0.47) KDM4EMEN1KMT2ANPC1RAB9A

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 15 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
CN-103052640-A Furopyridine derivatives MERCK PATENT GMBH 2013-04-17 CN 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-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
EP-2609100-A2 FUROPYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 EP disclosed
WO-2012025187-A2 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO 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 CYP3A4 2796/4885CYP2D6 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.