SCHEMBL320104

SCHEMBL320104

Clc1cc(-c2cncc(-c3cnn(CCOC4CCCCO4)c3)c2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.52
KDM4C Q9H3R0 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ATR Q13535 1/20 0.35
P2RX3 P56373 4/20 0.34
IKBKE Q14164 3/20 0.34
TBK1 Q9UHD2 3/20 0.34
CYP11B2 P19099 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
IRAK1 P51617 1/20 0.32
ACVRL1 P37023 1/20 0.32
ACVR1 Q04771 1/20 0.32

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
SCHEMBL10153189 0.84 MET (0.49) METKDM4CL3MBTL1ATRMEN1
SCHEMBL12524906 0.81 MET (0.49) METKDM4CL3MBTL1NPC1RAB9A
SCHEMBL13977686 0.81 MET (0.50) METKDM4CL3MBTL1NPC1RAB9A
SCHEMBL1133725 0.79 MET (0.46) METKDM4CL3MBTL1NPC1RAB9A
SCHEMBL22182497 0.77 MET (0.53) METKDM4CL3MBTL1NPC1RAB9A
SCHEMBL27174578 0.77 MET (0.51) METKDM4CL3MBTL1NPC1RAB9A
SCHEMBL26598810 0.77 MET (0.45) METKDM4CL3MBTL1NPC1RAB9A
SCHEMBL2697838 0.77 MET (0.50) METKDM4CL3MBTL1NPC1RAB9A
SCHEMBL15659168 0.76 MET (0.53) METKDM4CL3MBTL1NPC1RAB9A
SCHEMBL14783822 0.75 MET (0.53) METKDM4CL3MBTL1NPC1RAB9A

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051307-B2 Bipyridyl derivatives MERCK PATENT GMBH (DE) 2015-06-09 US disclosed
US-9051307-B2 Bipyridyl derivatives MERCK PATENT GMBH (DE) 2015-06-09 US disclosed
US-9051307-B2 Bipyridyl derivatives MERCK PATENT GMBH (DE) 2015-06-09 US disclosed
EP-2590946-B1 Bipyridyl derivatives useful for the treatment of kinase-induced diseases MERCK PATENT GMBH (DE) 2015-02-18 EP disclosed
EP-2590946-B1 Bipyridyl derivatives useful for the treatment of kinase-induced diseases MERCK PATENT GMBH (DE) 2015-02-18 EP disclosed
US-20140336201-A1 BIPYRIDYL DERIVATIVES MERCK PATENT GMBH (DE) 2014-11-13 US disclosed
US-20140336201-A1 BIPYRIDYL DERIVATIVES MERCK PATENT GMBH (DE) 2014-11-13 US disclosed
US-20140336201-A1 BIPYRIDYL DERIVATIVES MERCK PATENT GMBH (DE) 2014-11-13 US disclosed
US-8846931-B2 Bipyridyl derivatives MERCK PATENT GMBH (DE) 2014-09-30 US disclosed
US-8846931-B2 Bipyridyl derivatives MERCK PATENT GMBH (DE) 2014-09-30 US disclosed
US-8846931-B2 Bipyridyl derivatives MERCK PATENT GMBH (DE) 2014-09-30 US disclosed
EP-2590946-A1 BIPYRIDYL DERIVATIVES USEFUL FOR THE TREATMENT OF KINASE - INDUCED DISEASES Merck Patent GmbH (DE) 2013-05-15 EP disclosed
US-20130102608-A1 BIPYRIDYL DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-25 US disclosed
US-20130102608-A1 BIPYRIDYL DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-25 US disclosed
US-20130102608-A1 BIPYRIDYL DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-25 US disclosed
WO-2012003912-A1 BIPYRIDYL DERIVATIVES USEFUL FOR THE TREATMENT OF KINASE - INDUCED DISEASES MERCK PATENT GMBH (DE) 2012-01-12 WO disclosed
WO-2012003912-A1 BIPYRIDYL DERIVATIVES USEFUL FOR THE TREATMENT OF KINASE - INDUCED DISEASES MERCK PATENT GMBH (DE) 2012-01-12 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 (2 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-20130102608-A1 BIPYRIDYL DERIVATIVES TGFBR1, TGFBR2, SMAD2 MET 341/4885KDM4C 4265/4885L3MBTL1 2499/4885
US-20140336201-A1 BIPYRIDYL DERIVATIVES TGFBR1, TGFBR2, SMAD2 MET 341/4885KDM4C 4265/4885L3MBTL1 2499/4885

“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.