SCHEMBL2116233

SCHEMBL2116233

Cc1c(C(=O)O)c(C)n(C(C(N)=O)N2CCCC2)c1C=C1C(=O)Nc2cc(-c3cccnc3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 2/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ RET P07949 1/20 0.41
▸ ALK Q9UM73 1/20 0.41
▸ RAF1 P04049 2/20 0.39
▸ PIK3C3 Q8NEB9 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ CHEK1 O14757 8/20 0.38
▸ PDPK1 O15530 1/20 0.38
▸ AKT2 P31751 1/20 0.38
▸ KDR P35968 5/20 0.37
▸ PDGFRB P09619 5/20 0.37
▸ EGFR P00533 4/20 0.37
▸ FGFR1 P11362 4/20 0.37
▸ KIT P10721 1/20 0.36
▸ FLT4 P35916 1/20 0.36

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
SCHEMBL2114212 0.92 KDR (0.44) FLT3CHEK1KDRPDGFRBEGFR
SCHEMBL2114981 0.87 CHEK1 (0.40) FLT3CHEK1KDRPDGFRBEGFR
SCHEMBL2114657 0.85 CHEK1 (0.41) CHEK1KDRPDGFRBEGFRFGFR1
SCHEMBL2114496 0.85 LRRK2 (0.42) FLT3ABL1RETALKRAF1
SCHEMBL2114389 0.84 FLT3 (0.41) FLT3ABL1RETALKRAF1
SCHEMBL2114010 0.83 CHEK1 (0.39) CHEK1KDRPDGFRBEGFRFGFR1
SCHEMBL2118463 0.82 FLT3 (0.41) FLT3ABL1RETALKRAF1
SCHEMBL2113949 0.81 KDR (0.41) FLT3CHEK1KDRPDGFRBEGFR
SCHEMBL2116512 0.80 PRKDC (0.39) FLT3ABL1RETALKLRRK2
SCHEMBL2118573 0.80 CHEK1 (0.39) FLT3CHEK1KDRPDGFRBEGFR

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 FLT3 111/4885ABL1 28/4885RET 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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