SCHEMBL2115792

SCHEMBL2115792

CCN(CC)C(C(N)=O)n1c(C)c(C(=O)O)c(C)c1C=C1C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 2/20 0.43
▸ NTRK3 Q16288 2/20 0.43
▸ NTRK2 Q16620 2/20 0.43
▸ AURKB Q96GD4 2/20 0.42
▸ AURKA O14965 1/20 0.42
▸ SRC P12931 4/20 0.42
▸ ALK Q9UM73 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ RECQL P46063 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ FYN P06241 2/20 0.42
▸ YES1 P07947 2/20 0.42
▸ RGS12 O14924 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ GMNN O75496 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ LYN P07948 1/20 0.42
▸ RET P07949 1/20 0.42

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
SCHEMBL2114116 0.86 LRRK2 (0.42) SRCALKRETFLT3FGFR1
SCHEMBL722802 0.86 ALK (0.52) NTRK1NTRK3NTRK2AURKBAURKA
SCHEMBL2116963 0.86 PDGFRB (0.46) SRCALKMEN1KMT2ARET
SCHEMBL2116565 0.83 MGAT2 (0.44) AURKBAURKAMEN1RECQLKMT2A
SCHEMBL2114228 0.83 SRC (0.45) NTRK1NTRK3NTRK2AURKBAURKA
SCHEMBL2114117 0.81 KDR (0.46) SRCFLT3FGFR1KDRPDGFRB
SCHEMBL2116248 0.79 KDR (0.40) FLT3FGFR1KDRPDGFRBEGFR
SCHEMBL2113945 0.78 LRRK2 (0.45) ALKRETFLT3FGFR1KDR
SCHEMBL2115891 0.78 MEN1 (0.48) ALKMEN1KMT2ARETFGFR1
SCHEMBL398243 0.77 TLK2 (0.48) NTRK1AURKARETFLT3KDR

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 NTRK1 114/4885NTRK3 248/4885NTRK2 407/4885

“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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