SCHEMBL2118661

SCHEMBL2118661

CC(=O)c1c(C)c(C(=O)O)n(C(CC(N)=O)N2CCOCC2)c1C=C1C(=O)Nc2ccc(Br)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 11/20 0.41
▸ PDGFRB P09619 11/20 0.41
▸ FGFR1 P11362 6/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ FLT1 P17948 2/20 0.38
▸ KIT P10721 4/20 0.38
▸ TLK2 Q86UE8 2/20 0.38
▸ RIOK2 Q9BVS4 2/20 0.38
▸ TLK1 Q9UKI8 2/20 0.38
▸ SRC P12931 2/20 0.38
▸ LRRK2 Q5S007 2/20 0.38
▸ EGFR P00533 2/20 0.38
▸ RET P07949 2/20 0.38
▸ BMPR1B O00238 1/20 0.38
▸ PLK4 O00444 1/20 0.38
▸ STK25 O00506 1/20 0.38
▸ CIT O14578 1/20 0.38
▸ RIOK3 O14730 1/20 0.38
▸ CHEK1 O14757 1/20 0.38

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
SCHEMBL2117379 0.93 KDR (0.42) KDRPDGFRBFGFR1MEN1KMT2A
SCHEMBL2116258 0.92 CCNB2 (0.40) KDRPDGFRBFGFR1MEN1KMT2A
SCHEMBL2113633 0.89 MEN1 (0.41) KDRPDGFRBFGFR1MEN1KMT2A
SCHEMBL2114261 0.85 CCNB2 (0.42) KDRPDGFRBFGFR1MEN1KMT2A
SCHEMBL2113729 0.82 PDGFRB (0.43) KDRPDGFRBFGFR1MEN1KMT2A
SCHEMBL2117260 0.82 MEN1 (0.43) KDRPDGFRBFGFR1MEN1KMT2A
SCHEMBL2114024 0.78 PDGFRB (0.45) KDRPDGFRBFGFR1MEN1KMT2A
SCHEMBL2115581 0.78 MEN1 (0.43) KDRPDGFRBFGFR1MEN1KMT2A
SCHEMBL5642412 0.77 MEN1 (0.42) KDRPDGFRBFGFR1MEN1KMT2A
SCHEMBL2114214 0.77 ALK (0.44) 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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