SCHEMBL2117973

SCHEMBL2117973

CCN(CC)C(CC(N)=O)n1c(C)c(C(=O)O)c(-c2ccccc2)c1C=C1C(=O)Nc2ccc(Br)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 6/20 0.42
▸ KDR P35968 6/20 0.42
▸ FGFR1 P11362 4/20 0.42
▸ EGFR P00533 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KIT P10721 1/20 0.40
▸ CCNB2 O95067 2/20 0.39
▸ CDK1 P06493 2/20 0.39
▸ CCNB1 P14635 2/20 0.39
▸ CCNB3 Q8WWL7 2/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ CCR6 P51684 1/20 0.39
▸ RET P07949 1/20 0.39
▸ SRC P12931 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ ALK Q9UM73 1/20 0.36
▸ RPS6KA3 P51812 1/20 0.35
▸ PLK4 O00444 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.35

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
SCHEMBL2113662 0.91 MEN1 (0.40) PDGFRBKDRFGFR1EGFRMEN1
SCHEMBL2116323 0.91 KDR (0.45) PDGFRBKDRFGFR1EGFRMEN1
SCHEMBL2116290 0.86 LRRK2 (0.41) PDGFRBKDRFGFR1EGFRKIT
SCHEMBL2113955 0.83 MEN1 (0.43) PDGFRBKDRFGFR1EGFRMEN1
SCHEMBL2117534 0.83 CCNB2 (0.42) PDGFRBKDRFGFR1EGFRMEN1
SCHEMBL2114046 0.83 PDGFRB (0.45) PDGFRBKDRFGFR1EGFRMEN1
SCHEMBL2115597 0.82 MEN1 (0.41) PDGFRBKDRFGFR1EGFRMEN1
SCHEMBL2113729 0.81 PDGFRB (0.43) PDGFRBKDRFGFR1EGFRMEN1
SCHEMBL2114414 0.81 MEN1 (0.42) PDGFRBKDRFGFR1EGFRMEN1
SCHEMBL2113982 0.81 KDR (0.47) PDGFRBKDRFGFR1EGFRKIT

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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