SCHEMBL2113935

SCHEMBL2113935

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.42
▸ RAF1 P04049 1/20 0.42
▸ SRC P12931 2/20 0.42
▸ KDR P35968 8/20 0.41
▸ FGFR1 P11362 7/20 0.41
▸ PDGFRB P09619 6/20 0.41
▸ EGFR P00533 2/20 0.41
▸ ALK Q9UM73 3/20 0.39
▸ AKT2 P31751 6/20 0.39
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ FLT3 P36888 4/20 0.35
▸ RET P07949 3/20 0.35
▸ FLT4 P35916 2/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ KIT P10721 1/20 0.35
▸ PDPK1 O15530 2/20 0.35
▸ PDK1 Q15118 1/20 0.35
▸ AURKA O14965 2/20 0.35
▸ FLT1 P17948 2/20 0.35

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
SCHEMBL2116290 0.92 LRRK2 (0.41) LRRK2RAF1SRCKDRFGFR1
SCHEMBL2113982 0.85 KDR (0.47) SRCKDRFGFR1PDGFRBEGFR
SCHEMBL2118463 0.85 FLT3 (0.41) LRRK2RAF1SRCKDRFGFR1
SCHEMBL2114116 0.83 LRRK2 (0.42) LRRK2RAF1SRCKDRFGFR1
SCHEMBL2117924 0.82 RAF1 (0.39) LRRK2RAF1SRCKDRFGFR1
SCHEMBL2118752 0.80 KDR (0.46) LRRK2SRCKDRFGFR1PDGFRB
SCHEMBL2116323 0.80 KDR (0.45) SRCKDRFGFR1PDGFRBEGFR
SCHEMBL2114496 0.80 LRRK2 (0.42) LRRK2RAF1SRCKDRFGFR1
SCHEMBL2117973 0.78 PDGFRB (0.42) LRRK2SRCKDRFGFR1PDGFRB
SCHEMBL2114117 0.77 KDR (0.46) SRCKDRFGFR1PDGFRBEGFR

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 LRRK2 580/4885RAF1 238/4885SRC 18/4885

“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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