SCHEMBL2115632

SCHEMBL2115632

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 14/20 0.45
▸ PDGFRB P09619 10/20 0.45
▸ FGFR1 P11362 8/20 0.45
▸ SRC P12931 2/20 0.44
▸ TLK2 Q86UE8 2/20 0.40
▸ FLT3 P36888 5/20 0.40
▸ AURKA O14965 2/20 0.40
▸ AURKB Q96GD4 2/20 0.40
▸ MET P08581 1/20 0.40
▸ AURKC Q9UQB9 1/20 0.40
▸ EGFR P00533 3/20 0.40
▸ FLT4 P35916 4/20 0.39
▸ KIT P10721 3/20 0.39
▸ PDGFRA P16234 1/20 0.39

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
SCHEMBL2117434 0.94 RET (0.44) KDRPDGFRBFGFR1SRCTLK2
SCHEMBL2114178 0.88 KDR (0.42) KDRPDGFRBFGFR1SRCFLT3
SCHEMBL2114542 0.87 PDGFRB (0.45) KDRPDGFRBFGFR1SRCFLT3
SCHEMBL2117426 0.84 PDGFRB (0.45) KDRPDGFRBFGFR1SRCAURKA
SCHEMBL2113982 0.71 KDR (0.47) KDRPDGFRBFGFR1SRCFLT3
SCHEMBL2114046 0.69 PDGFRB (0.45) KDRPDGFRBFGFR1SRCAURKA
SCHEMBL2115110 0.68 KDR (0.42) KDRPDGFRBFGFR1SRCTLK2
SCHEMBL2113729 0.68 PDGFRB (0.43) KDRPDGFRBFGFR1SRCAURKA
SCHEMBL2116323 0.67 KDR (0.45) KDRPDGFRBFGFR1SRCAURKA
SCHEMBL2117534 0.67 CCNB2 (0.42) KDRPDGFRBFGFR1SRCTLK2

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.

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