SCHEMBL2116290

SCHEMBL2116290

CCN(CC)C(CC(N)=O)n1c(C)c(C(=O)O)c(C)c1C=C1C(=O)Nc2ccc(-c3ccccc3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.41
▸ RAF1 P04049 1/20 0.41
▸ KDR P35968 5/20 0.40
▸ PDGFRB P09619 3/20 0.40
▸ FGFR1 P11362 3/20 0.40
▸ EGFR P00533 2/20 0.40
▸ SRC P12931 1/20 0.40
▸ ALK Q9UM73 2/20 0.38
▸ AKT2 P31751 5/20 0.38
▸ PRKAA2 P54646 2/20 0.36
▸ PRKAA1 Q13131 2/20 0.36
▸ GRK5 P34947 2/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ 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 0.34

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
SCHEMBL2113982 0.94 KDR (0.47) KDRPDGFRBFGFR1EGFRSRC
SCHEMBL2113935 0.92 LRRK2 (0.42) LRRK2RAF1KDRPDGFRBFGFR1
SCHEMBL2114116 0.89 LRRK2 (0.42) LRRK2RAF1KDRPDGFRBFGFR1
SCHEMBL2116323 0.89 KDR (0.45) KDRPDGFRBFGFR1EGFRSRC
SCHEMBL2117973 0.86 PDGFRB (0.42) LRRK2KDRPDGFRBFGFR1EGFR
SCHEMBL2117924 0.82 RAF1 (0.39) LRRK2RAF1KDRPDGFRBFGFR1
SCHEMBL2114117 0.82 KDR (0.46) KDRPDGFRBFGFR1EGFRSRC
SCHEMBL2114496 0.79 LRRK2 (0.42) LRRK2RAF1KDRPDGFRBFGFR1
SCHEMBL2113662 0.79 MEN1 (0.40) LRRK2KDRPDGFRBFGFR1EGFR
SCHEMBL2117534 0.78 CCNB2 (0.42) RAF1KDRPDGFRBFGFR1EGFR

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 238/4885KDR 395/4885

“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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