SCHEMBL2113633

SCHEMBL2113633

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDR P35968 8/20 0.40
▸ FLT1 P17948 2/20 0.40
▸ PDGFRB P09619 8/20 0.39
▸ FGFR1 P11362 4/20 0.39
▸ KIT P10721 4/20 0.38
▸ TLK2 Q86UE8 2/20 0.38
▸ RIOK2 Q9BVS4 2/20 0.38
▸ TLK1 Q9UKI8 2/20 0.38
▸ LRRK2 Q5S007 2/20 0.38
▸ RET P07949 2/20 0.38
▸ PLK4 O00444 2/20 0.38
▸ RPS6KA3 P51812 2/20 0.38
▸ BMPR1B O00238 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
▸ IKBKB O14920 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
SCHEMBL2117260 0.93 MEN1 (0.43) MEN1KMT2AKDRPDGFRBFGFR1
SCHEMBL2118661 0.89 KDR (0.41) MEN1KMT2AKDRFLT1PDGFRB
SCHEMBL2117379 0.81 KDR (0.42) MEN1KMT2AKDRPDGFRBFGFR1
SCHEMBL2115581 0.81 MEN1 (0.43) MEN1KMT2AKDRPDGFRBFGFR1
SCHEMBL2116258 0.81 CCNB2 (0.40) MEN1KMT2AKDRFLT1PDGFRB
SCHEMBL5642412 0.81 MEN1 (0.42) MEN1KMT2AKDRFLT1PDGFRB
SCHEMBL2117957 0.80 MEN1 (0.46) MEN1KMT2AKDRPDGFRBFGFR1
SCHEMBL6727036 0.78 KDR (0.53) MEN1KMT2AKDRFLT1PDGFRB
SCHEMBL2113729 0.78 PDGFRB (0.43) MEN1KMT2AKDRPDGFRBFGFR1
SCHEMBL2116628 0.77 MEN1 (0.46) MEN1KMT2AKDRPDGFRBFGFR1

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 MEN1 2122/4885KMT2A 2372/4885KDR 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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