SCHEMBL2114542

SCHEMBL2114542

CCN(CC)C(CC(N)=O)n1c(C=C2C(=O)Nc3cc(-c4ccccc4)ccc32)cc(C)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 13/20 0.45
▸ KDR P35968 13/20 0.45
▸ FGFR1 P11362 12/20 0.45
▸ EGFR P00533 8/20 0.45
▸ SRC P12931 3/20 0.43
▸ CHEK1 O14757 5/20 0.40
▸ KIT P10721 1/20 0.38
▸ FLT4 P35916 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ CDK2 P24941 1/20 0.36

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
SCHEMBL2114178 0.91 KDR (0.42) PDGFRBKDRFGFR1EGFRSRC
SCHEMBL2115632 0.87 KDR (0.45) PDGFRBKDRFGFR1EGFRSRC
SCHEMBL2113982 0.84 KDR (0.47) PDGFRBKDRFGFR1EGFRSRC
SCHEMBL2117426 0.84 PDGFRB (0.45) PDGFRBKDRFGFR1EGFRSRC
SCHEMBL2117434 0.82 RET (0.44) PDGFRBKDRFGFR1SRCCHEK1
SCHEMBL2116290 0.77 LRRK2 (0.41) PDGFRBKDRFGFR1EGFRSRC
SCHEMBL2115188 0.77 PDGFRB (0.43) PDGFRBKDRFGFR1EGFRSRC
SCHEMBL2114117 0.74 KDR (0.46) PDGFRBKDRFGFR1EGFRSRC
SCHEMBL2117973 0.70 PDGFRB (0.42) PDGFRBKDRFGFR1EGFRSRC
SCHEMBL2117534 0.70 CCNB2 (0.42) PDGFRBKDRFGFR1EGFRSRC

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 PDGFRB 555/4885KDR 395/4885FGFR1 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.

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