SCHEMBL2117434

SCHEMBL2117434

CCN(CC)C(CC(N)=O)n1c(C=C2C(=O)Nc3ccc(OC)cc32)cc(C)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 7/20 0.44
▸ KDR P35968 5/20 0.42
▸ LRRK2 Q5S007 4/20 0.41
▸ SYK P43405 4/20 0.41
▸ FCER2 P06734 1/20 0.41
▸ TLK2 Q86UE8 4/20 0.40
▸ PDPK1 O15530 2/20 0.40
▸ SRC P12931 2/20 0.40
▸ CDK2 P24941 3/20 0.40
▸ CCNE1 P24864 2/20 0.40
▸ LCK P06239 3/20 0.39
▸ CDK1 P06493 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ GSK3A P49840 2/20 0.39
▸ GSK3B P49841 2/20 0.39
▸ CDK7 P50613 2/20 0.39
▸ CDK9 P50750 2/20 0.39
▸ CDK5 Q00535 2/20 0.39
▸ PLK4 O00444 1/20 0.39
▸ CHEK1 O14757 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
SCHEMBL2115632 0.94 KDR (0.45) KDRTLK2SRCAURKAFGFR1
SCHEMBL2117426 0.89 PDGFRB (0.45) RETKDRSRCCDK1PLK4
SCHEMBL2114178 0.88 KDR (0.42) RETKDRSYKPDPK1SRC
SCHEMBL2114542 0.82 PDGFRB (0.45) KDRSRCCDK2CHEK1FGFR1
SCHEMBL2114046 0.74 PDGFRB (0.45) RETKDRSRCCDK1PLK4
SCHEMBL2113729 0.73 PDGFRB (0.43) RETKDRSRCCDK1PLK4
SCHEMBL2116323 0.72 KDR (0.45) RETKDRSRCCDK1PLK4
SCHEMBL2117534 0.71 CCNB2 (0.42) RETKDRTLK2SRCCDK1
SCHEMBL2116290 0.71 LRRK2 (0.41) RETKDRLRRK2SRCCDK1
SCHEMBL2117973 0.69 PDGFRB (0.42) RETKDRLRRK2SRCCDK1

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 RET 73/4885KDR 395/4885LRRK2 580/4885

“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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