SCHEMBL2116628

SCHEMBL2116628

Cc1cc(C(=O)O)c(C=C2C(=O)Nc3ccc(Br)cc32)n1C(C(N)=O)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ RET P07949 1/20 0.41
▸ PDGFRB P09619 5/20 0.41
▸ FGFR1 P11362 4/20 0.41
▸ KDR P35968 4/20 0.41
▸ CCNB2 O95067 2/20 0.41
▸ CDK1 P06493 2/20 0.41
▸ CCNB1 P14635 2/20 0.41
▸ CCNB3 Q8WWL7 2/20 0.41
▸ PLK4 O00444 3/20 0.40
▸ HSP90AA1 P07900 2/20 0.40
▸ CCR6 P51684 1/20 0.40
▸ AKT2 P31751 1/20 0.39
▸ SRC P12931 2/20 0.39
▸ PLK1 P53350 1/20 0.39
▸ MAP1LC3B Q9GZQ8 1/20 0.39

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
SCHEMBL2117957 0.86 MEN1 (0.46) MEN1KMT2ARETPDGFRBFGFR1
SCHEMBL2117260 0.83 MEN1 (0.43) MEN1KMT2ARETPDGFRBFGFR1
SCHEMBL2118294 0.82 MEN1 (0.42) MEN1KMT2ARETPDGFRBFGFR1
SCHEMBL2113633 0.77 MEN1 (0.41) MEN1KMT2ARETPDGFRBFGFR1
SCHEMBL1673441 0.76 ALK (0.52) MEN1KMT2ARETPDGFRBFGFR1
SCHEMBL2114024 0.76 PDGFRB (0.45) MEN1KMT2ARETPDGFRBFGFR1
SCHEMBL6326927 0.75 BRD4 (0.34) MEN1KMT2ARETKDR
SCHEMBL2114496 0.75 LRRK2 (0.42) RETPDGFRBFGFR1KDRAKT2
SCHEMBL2117379 0.73 KDR (0.42) MEN1KMT2ARETPDGFRBFGFR1
SCHEMBL2114228 0.72 SRC (0.45) MEN1KMT2ARETPDGFRBFGFR1

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 2372/4885RET 73/4885

“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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