SCHEMBL16232295

SCHEMBL16232295

Fc1ccccc1-c1cc(-c2cncc(-c3cnn(CCCC4CCCCC4)c3)n2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.39
TGFBR1 P36897 3/20 0.38
MAP4K4 O95819 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
RORC P51449 6/20 0.38
ADORA2A P29274 1/20 0.36
USP19 O94966 2/20 0.35
MAPK1 P28482 1/20 0.35
PIM1 P11309 2/20 0.35
FEN1 P39748 1/20 0.35
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34

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
SCHEMBL320352 0.82 FEN1 (0.49) PDK2TGFBR1MAP4K4GABRA1GABRG2
SCHEMBL320160 0.81 MET (0.47) TGFBR1MAP4K4GABRA1GABRG2GABRB3
SCHEMBL320460 0.73 TGFBR1 (0.48) PDK2TGFBR1MAP4K4GABRA1GABRG2
SCHEMBL10153189 0.72 MET (0.49) PDK2TGFBR1MAP4K4GABRA1GABRG2
SCHEMBL320854 0.71 TGFBR1 (0.59) TGFBR1MAP4K4FEN1
SCHEMBL320657 0.71 TGFBR1 (0.51) PDK2TGFBR1MAP4K4FEN1
SCHEMBL320493 0.71 TGFBR1 (0.46) PDK2TGFBR1MAP4K4GABRA1GABRG2
SCHEMBL14877229 0.70 MAPK1 (0.45) TGFBR1MAP4K4MAPK1FEN1
SCHEMBL320368 0.68 TGFBR1 (0.49) TGFBR1MAP4K4GABRA1GABRG2GABRB3
SCHEMBL2325458 0.66 FEN1 (0.47) PDK2TGFBR1RORCFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-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.