SCHEMBL2115774

SCHEMBL2115774

COc1ccccc1-c1ccc2c(c1)NC(=O)C2=Cc1[nH]c(C)c(C(=O)NCCN2CCCC2)c1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.59
PDGFRB P09619 10/20 0.59
FLT3 P36888 2/20 0.59
AURKB Q96GD4 2/20 0.59
MET P08581 1/20 0.59
FGFR1 P11362 9/20 0.57
EGFR P00533 4/20 0.57
TLK2 Q86UE8 1/20 0.57
CHEK1 O14757 7/20 0.56
AURKA O14965 1/20 0.53
LCK P06239 1/20 0.53
KIT P10721 1/20 0.53
KCNH2 Q12809 1/20 0.53
SRC P12931 1/20 0.52
PIM1 P11309 1/20 0.48
PRKAA2 P54646 2/20 0.45
PRKAA1 Q13131 2/20 0.45

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
SCHEMBL13755206 1.00 KDR (0.59) KDRPDGFRBFLT3AURKBMET
SCHEMBL31672547 0.87 KDR (0.59) KDRPDGFRBFLT3AURKBFGFR1
SCHEMBL13755222 0.87 KDR (0.59) KDRPDGFRBFLT3AURKBFGFR1
SCHEMBL2115509 0.87 KDR (0.59) KDRPDGFRBFLT3AURKBFGFR1
SCHEMBL2114207 0.85 KDR (0.70) KDRPDGFRBFLT3AURKBMET
SCHEMBL31672506 0.85 KDR (0.70) KDRPDGFRBFLT3AURKBMET
SCHEMBL13755214 0.85 KDR (0.70) KDRPDGFRBFLT3AURKBMET
SCHEMBL2113946 0.85 KDR (0.73) KDRPDGFRBFLT3AURKBMET
SCHEMBL31672437 0.85 KDR (0.73) KDRPDGFRBFLT3AURKBMET
SCHEMBL13755239 0.85 KDR (0.73) KDRPDGFRBFLT3AURKBMET

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 555/4885FLT3 111/4885

“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.