SCHEMBL14877156

SCHEMBL14877156

OCCn1cc(-c2cncc(-c3ccnc(-c4cc(C(F)(F)F)ccc4F)c3)c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 9/20 0.45
TGFBR1 P36897 4/20 0.42
MAP4K4 O95819 2/20 0.42
ABL1 P00519 1/20 0.41
FEN1 P39748 1/20 0.39
PIK3CA P42336 1/20 0.37
MET P08581 2/20 0.37
TRPV3 Q8NET8 1/20 0.37
IKBKE Q14164 1/20 0.37
TBK1 Q9UHD2 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
SCHEMBL320451 0.88 TGFBR1 (0.53) PDK2TGFBR1MAP4K4FEN1MET
SCHEMBL320469 0.87 TGFBR1 (0.44) PDK2TGFBR1MAP4K4ABL1FEN1
SCHEMBL320657 0.86 TGFBR1 (0.51) PDK2TGFBR1MAP4K4FEN1MET
SCHEMBL2325268 0.82 PDK2 (0.42) PDK2TGFBR1ABL1FEN1PIK3CA
SCHEMBL320460 0.80 TGFBR1 (0.48) PDK2TGFBR1MAP4K4FEN1MET
SCHEMBL320680 0.77 MET (0.46) TGFBR1MET
SCHEMBL320352 0.75 FEN1 (0.49) PDK2TGFBR1MAP4K4FEN1MET
SCHEMBL319767 0.74 TGFBR1 (0.60) TGFBR1MAP4K4MET
SCHEMBL320375 0.74 TGFBR1 (0.51) TGFBR1MAP4K4MET
SCHEMBL320854 0.72 TGFBR1 (0.59) TGFBR1MAP4K4FEN1

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 13 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
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
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

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 PDK2 560/4885TGFBR1 1/4885MAP4K4 98/4885
US-20140336201-A1 BIPYRIDYL DERIVATIVES TGFBR1, TGFBR2, SMAD2 PDK2 560/4885TGFBR1 1/4885MAP4K4 98/4885

“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.