SCHEMBL320493

SCHEMBL320493

CN1CCN(CCCn2cc(-c3cncc(-c4ccnc(-c5ccccc5F)c4)c3)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.46
MAP4K4 O95819 3/20 0.46
KDR P35968 5/20 0.44
FLT1 P17948 4/20 0.44
FLT4 P35916 4/20 0.44
BMP4 P12644 1/20 0.39
PAICS P22234 1/20 0.39
TLR7 Q9NYK1 1/20 0.38
EPHB4 P54760 1/20 0.38
TEK Q02763 1/20 0.38
PIM1 P11309 1/20 0.38
FEN1 P39748 1/20 0.38
DRD2 P14416 1/20 0.36
ADRA1A P35348 1/20 0.36
DRD3 P35462 1/20 0.36
MAP4K1 Q92918 1/20 0.36
ALK Q9UM73 1/20 0.36
PDK2 Q15119 1/20 0.36
TTK P33981 1/20 0.35
GABRA1 P14867 1/20 0.35

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
SCHEMBL14877229 0.90 MAPK1 (0.45) TGFBR1MAP4K4KDRFLT1FLT4
SCHEMBL320460 0.84 TGFBR1 (0.48) TGFBR1MAP4K4KDREPHB4TEK
SCHEMBL320854 0.84 TGFBR1 (0.59) TGFBR1MAP4K4KDRFEN1
SCHEMBL13834256 0.84 KDR (0.44) TGFBR1MAP4K4KDRFLT1FLT4
SCHEMBL320657 0.82 TGFBR1 (0.51) TGFBR1MAP4K4FEN1PDK2
SCHEMBL320961 0.79 MET (0.47) TGFBR1MAP4K4MAP4K1ALK
SCHEMBL10153132 0.76 ACVR1B (0.52) TGFBR1MAP4K4FLT4TLR7DRD2
SCHEMBL319767 0.75 TGFBR1 (0.60) TGFBR1MAP4K4
SCHEMBL2329554 0.74 MAPK1 (0.41) MAP4K4KDRFLT1FLT4TLR7
SCHEMBL320375 0.74 TGFBR1 (0.51) TGFBR1MAP4K4KDRPAICS

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 TGFBR1 1/4885MAP4K4 98/4885KDR 871/4885
US-20140336201-A1 BIPYRIDYL DERIVATIVES TGFBR1, TGFBR2, SMAD2 TGFBR1 1/4885MAP4K4 98/4885KDR 871/4885

“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.