SCHEMBL2118656

SCHEMBL2118656

CC(=O)c1c(C=C2C(=O)Nc3ccc(Br)cc32)[nH]c(C(=O)NCCCN2CCOCC2)c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.58
PDGFRB P09619 8/20 0.58
FGFR1 P11362 5/20 0.58
EGFR P00533 2/20 0.49
TLK2 Q86UE8 3/20 0.49
KIT P10721 4/20 0.48
SRC P12931 3/20 0.48
RIOK2 Q9BVS4 2/20 0.48
TLK1 Q9UKI8 2/20 0.48
LCK P06239 2/20 0.48
FYN P06241 2/20 0.48
YES1 P07947 2/20 0.48
FLT1 P17948 2/20 0.48
BMPR1B O00238 1/20 0.48
PLK4 O00444 1/20 0.48
STK25 O00506 1/20 0.48
CIT O14578 1/20 0.48
RIOK3 O14730 1/20 0.48
CHEK1 O14757 1/20 0.48
IKBKB O14920 1/20 0.48

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
SCHEMBL13755220 1.00 KDR (0.58) KDRPDGFRBFGFR1EGFRTLK2
SCHEMBL31672422 1.00 KDR (0.58) KDRPDGFRBFGFR1EGFRTLK2
SCHEMBL13755195 0.96 KDR (0.62) KDRPDGFRBFGFR1EGFRTLK2
SCHEMBL31672537 0.96 KDR (0.62) KDRPDGFRBFGFR1EGFRTLK2
SCHEMBL2113630 0.96 KDR (0.62) KDRPDGFRBFGFR1EGFRTLK2
SCHEMBL13755186 0.93 PDGFRB (0.56) KDRPDGFRBFGFR1EGFRTLK2
SCHEMBL2117372 0.93 PDGFRB (0.56) KDRPDGFRBFGFR1EGFRTLK2
SCHEMBL13755203 0.91 PDGFRB (0.55) KDRPDGFRBFGFR1EGFRTLK2
SCHEMBL31672424 0.91 PDGFRB (0.55) KDRPDGFRBFGFR1EGFRTLK2
SCHEMBL2116256 0.91 PDGFRB (0.55) KDRPDGFRBFGFR1EGFRTLK2

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.