SCHEMBL2114272

SCHEMBL2114272

CC(C)c1c(C(=O)O)c(-c2ccccc2)c(C=C2C(=O)Nc3ccc(Br)cc32)n1C(CC(N)=O)N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 2/20 0.41
▸ PDGFRB P09619 8/20 0.40
▸ KDR P35968 8/20 0.40
▸ FGFR1 P11362 5/20 0.40
▸ SRC P12931 2/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CCNB2 O95067 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ CCNB1 P14635 1/20 0.38
▸ CCR6 P51684 1/20 0.38
▸ CCNB3 Q8WWL7 1/20 0.38
▸ KIT P10721 1/20 0.36
▸ RET P07949 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ RPS6KA3 P51812 1/20 0.34
▸ PLK4 O00444 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ EGFR P00533 1/20 0.34

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
SCHEMBL2114239 0.94 AURKA (0.39) AURKAPDGFRBKDRFGFR1SRC
SCHEMBL2114224 0.90 MEN1 (0.41) AURKAPDGFRBKDRFGFR1SRC
SCHEMBL2113662 0.85 MEN1 (0.40) AURKAPDGFRBKDRFGFR1SRC
SCHEMBL2115597 0.81 MEN1 (0.41) AURKAPDGFRBKDRFGFR1SRC
SCHEMBL2118294 0.81 MEN1 (0.42) AURKAPDGFRBKDRFGFR1SRC
SCHEMBL2114261 0.80 CCNB2 (0.42) AURKAPDGFRBKDRFGFR1SRC
SCHEMBL2114024 0.80 PDGFRB (0.45) AURKAPDGFRBKDRFGFR1SRC
SCHEMBL2117379 0.79 KDR (0.42) AURKAPDGFRBKDRFGFR1SRC
SCHEMBL2117973 0.77 PDGFRB (0.42) AURKAPDGFRBKDRFGFR1SRC
SCHEMBL2116258 0.74 CCNB2 (0.40) PDGFRBKDRFGFR1SRCMEN1

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 AURKA 167/4885PDGFRB 555/4885KDR 395/4885

“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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