SCHEMBL2113630

SCHEMBL2113630

CC(=O)c1c(C=C2C(=O)Nc3ccc(Br)cc32)[nH]c(C(=O)NCCN2CCOCC2)c1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.62
PDGFRB P09619 9/20 0.62
FGFR1 P11362 6/20 0.62
TLK2 Q86UE8 3/20 0.53
EGFR P00533 2/20 0.51
AKT2 P31751 1/20 0.50
KIT P10721 4/20 0.49
CHEK1 O14757 3/20 0.49
RIOK2 Q9BVS4 2/20 0.49
TLK1 Q9UKI8 2/20 0.49
ABL1 P00519 2/20 0.49
FLT1 P17948 2/20 0.49
LCK P06239 2/20 0.49
FYN P06241 2/20 0.49
YES1 P07947 2/20 0.49
SRC P12931 2/20 0.49
PRKAA2 P54646 2/20 0.49
PRKAA1 Q13131 2/20 0.49
RET P07949 2/20 0.49
BMPR1B O00238 1/20 0.49

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
SCHEMBL13755195 1.00 KDR (0.62) KDRPDGFRBFGFR1TLK2EGFR
SCHEMBL31672537 1.00 KDR (0.62) KDRPDGFRBFGFR1TLK2EGFR
SCHEMBL13755220 0.96 KDR (0.58) KDRPDGFRBFGFR1TLK2EGFR
SCHEMBL31672422 0.96 KDR (0.58) KDRPDGFRBFGFR1TLK2EGFR
SCHEMBL2118656 0.96 KDR (0.58) KDRPDGFRBFGFR1TLK2EGFR
SCHEMBL13755221 0.93 PDGFRB (0.61) KDRPDGFRBFGFR1TLK2EGFR
SCHEMBL2117256 0.93 PDGFRB (0.61) KDRPDGFRBFGFR1TLK2EGFR
SCHEMBL31672485 0.93 PDGFRB (0.61) KDRPDGFRBFGFR1TLK2EGFR
SCHEMBL2117372 0.89 PDGFRB (0.56) KDRPDGFRBFGFR1TLK2EGFR
SCHEMBL13755186 0.89 PDGFRB (0.56) KDRPDGFRBFGFR1TLK2EGFR

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.