SCHEMBL2114112

SCHEMBL2114112

CCN(CC)CCN(C)C(=O)c1ccc(C=C2C(=O)Nc3ccc(Br)cc32)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.54
PDGFRB P09619 7/20 0.54
FGFR1 P11362 4/20 0.54
EGFR P00533 1/20 0.54
PDPK1 O15530 2/20 0.48
KIT P10721 2/20 0.47
PRKAA2 P54646 1/20 0.45
PRKAA1 Q13131 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RET P07949 1/20 0.45
SRC P12931 1/20 0.45
PLK4 O00444 1/20 0.43
MAP1LC3B Q9GZQ8 1/20 0.42
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42

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
SCHEMBL31672469 1.00 KDR (0.54) KDRPDGFRBFGFR1EGFRPDPK1
SCHEMBL13755178 1.00 KDR (0.54) KDRPDGFRBFGFR1EGFRPDPK1
SCHEMBL31672464 0.85 KDR (0.68) KDRPDGFRBFGFR1EGFRPDPK1
SCHEMBL2116153 0.85 KDR (0.68) KDRPDGFRBFGFR1EGFRPDPK1
SCHEMBL13755173 0.85 KDR (0.68) KDRPDGFRBFGFR1EGFRPDPK1
SCHEMBL2116105 0.80 PDGFRB (0.48) KDRPDGFRBFGFR1EGFRKIT
SCHEMBL31672427 0.80 PDGFRB (0.48) KDRPDGFRBFGFR1EGFRKIT
SCHEMBL13755175 0.80 PDGFRB (0.48) KDRPDGFRBFGFR1EGFRKIT
SCHEMBL3794502 0.79 MEN1 (0.62) KDRPDGFRBFGFR1PDPK1MEN1
SCHEMBL3794503 0.79 MEN1 (0.62) KDRPDGFRBFGFR1PDPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094998-A1 Oligomer-Protein Tyrosine Kinase Inhibitor Conjugates NEKTAR THERAPEUTICS (US) 2012-04-19 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-20120094998-A1 Oligomer-Protein Tyrosine Kinase Inhibitor Conjugates PTK2B, ERBB2, FRK KDR 395/4885PDGFRB 555/4885FGFR1 462/4885

“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.