SCHEMBL2117924

SCHEMBL2117924

Cc1c(C(=O)O)c(C)n(C(CC(N)=O)n2ccnc2)c1C=C1C(=O)Nc2ccc(-c3ccccc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 3/20 0.39
▸ LRRK2 Q5S007 2/20 0.39
▸ ALK Q9UM73 2/20 0.37
▸ FLT3 P36888 2/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ RET P07949 1/20 0.37
▸ KDR P35968 3/20 0.37
▸ EGFR P00533 2/20 0.37
▸ PDGFRB P09619 2/20 0.37
▸ FGFR1 P11362 2/20 0.37
▸ AKT2 P31751 6/20 0.37
▸ SRC P12931 1/20 0.36
▸ PIK3C3 Q8NEB9 1/20 0.36
▸ TLK2 Q86UE8 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ PDPK1 O15530 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ FLT4 P35916 1/20 0.34
▸ CHEK1 O14757 1/20 0.34

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
SCHEMBL2115933 0.94 KDR (0.44) FLT3KDREGFRPDGFRBFGFR1
SCHEMBL2112008 0.89 PDGFRB (0.42) ALKRETKDREGFRPDGFRB
SCHEMBL2116290 0.82 LRRK2 (0.41) RAF1LRRK2ALKFLT3ABL1
SCHEMBL2113935 0.82 LRRK2 (0.42) RAF1LRRK2ALKFLT3ABL1
SCHEMBL2114116 0.79 LRRK2 (0.42) RAF1LRRK2ALKFLT3ABL1
SCHEMBL2113982 0.76 KDR (0.47) FLT3KDREGFRPDGFRBFGFR1
SCHEMBL2114496 0.76 LRRK2 (0.42) RAF1LRRK2ALKFLT3ABL1
SCHEMBL7676776 0.75 KDM4E (0.34) —
SCHEMBL2118463 0.73 FLT3 (0.41) RAF1LRRK2ALKFLT3ABL1
SCHEMBL2114117 0.73 KDR (0.46) FLT3KDREGFRPDGFRBFGFR1

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 RAF1 238/4885LRRK2 580/4885ALK 191/4885

“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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