SCHEMBL2117379

SCHEMBL2117379

CC(=O)c1c(C)c(C(=O)O)n(C(CC(N)=O)N2CCCC2)c1C=C1C(=O)Nc2ccc(Br)cc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 9/20 0.42
▸ PDGFRB P09619 9/20 0.42
▸ FGFR1 P11362 6/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SRC P12931 2/20 0.41
▸ AURKA O14965 2/20 0.40
▸ KIT P10721 1/20 0.37
▸ RET P07949 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ CCNB2 O95067 2/20 0.37
▸ CDK1 P06493 2/20 0.37
▸ CCNB1 P14635 2/20 0.37
▸ CCNB3 Q8WWL7 2/20 0.37
▸ HSP90AA1 P07900 1/20 0.36
▸ CCR6 P51684 1/20 0.36
▸ PLK4 O00444 1/20 0.36
▸ TLK2 Q86UE8 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
SCHEMBL2118661 0.93 KDR (0.41) KDRPDGFRBFGFR1MEN1KMT2A
SCHEMBL2114261 0.92 CCNB2 (0.42) KDRPDGFRBFGFR1MEN1KMT2A
SCHEMBL2117260 0.88 MEN1 (0.43) KDRPDGFRBFGFR1MEN1KMT2A
SCHEMBL2116258 0.85 CCNB2 (0.40) KDRPDGFRBFGFR1MEN1KMT2A
SCHEMBL2114024 0.84 PDGFRB (0.45) KDRPDGFRBFGFR1MEN1KMT2A
SCHEMBL2113729 0.84 PDGFRB (0.43) KDRPDGFRBFGFR1MEN1KMT2A
SCHEMBL2114214 0.83 ALK (0.44) KDRPDGFRBFGFR1MEN1KMT2A
SCHEMBL2116265 0.82 PIM1 (0.39) KDRPDGFRBFGFR1MEN1KMT2A
SCHEMBL2114224 0.81 MEN1 (0.41) KDRPDGFRBFGFR1MEN1KMT2A
SCHEMBL2113633 0.81 MEN1 (0.41) KDRPDGFRBFGFR1MEN1KMT2A

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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