SCHEMBL2114116

SCHEMBL2114116

CCN(CC)C(C(N)=O)n1c(C)c(C(=O)O)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 1/20 0.39
▸ KDR P35968 5/20 0.39
▸ EGFR P00533 2/20 0.39
▸ PDGFRB P09619 2/20 0.39
▸ FGFR1 P11362 2/20 0.39
▸ ALK Q9UM73 2/20 0.39
▸ AKT2 P31751 5/20 0.39
▸ GRK5 P34947 2/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ PRKAA2 P54646 2/20 0.36
▸ PRKAA1 Q13131 2/20 0.36
▸ FLT3 P36888 2/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ RET P07949 1/20 0.35
▸ KIT P10721 1/20 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
SCHEMBL2114117 0.93 KDR (0.46) SRCKDREGFRPDGFRBFGFR1
SCHEMBL2116290 0.89 LRRK2 (0.41) LRRK2RAF1SRCKDREGFR
SCHEMBL2116963 0.88 PDGFRB (0.46) SRCKDREGFRPDGFRBFGFR1
SCHEMBL722802 0.88 ALK (0.52) LRRK2SRCKDREGFRPDGFRB
SCHEMBL2115792 0.86 NTRK1 (0.43) RAF1SRCKDREGFRPDGFRB
SCHEMBL2114389 0.85 FLT3 (0.41) LRRK2RAF1KDREGFRPDGFRB
SCHEMBL2116248 0.85 KDR (0.40) KDREGFRPDGFRBFGFR1PRKAA2
SCHEMBL2118752 0.84 KDR (0.46) LRRK2SRCKDREGFRPDGFRB
SCHEMBL2113935 0.83 LRRK2 (0.42) LRRK2RAF1SRCKDREGFR
SCHEMBL398243 0.82 TLK2 (0.48) KDRAKT2FLT3RETKIT

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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