SCHEMBL2113945

SCHEMBL2113945

Cc1c(C(=O)O)c(C)n(C(C(N)=O)N(C)C)c1C=C1C(=O)Nc2ccc(Cl)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 7/20 0.45
▸ ZAP70 P43403 1/20 0.44
▸ IDO1 P14902 2/20 0.44
▸ TDO2 P48775 2/20 0.44
▸ TGM2 P21980 1/20 0.44
▸ EGFR P00533 2/20 0.43
▸ PDGFRB P09619 2/20 0.43
▸ ERBB2 P04626 1/20 0.43
▸ RET P07949 1/20 0.43
▸ PSEN1 P49768 2/20 0.43
▸ PSEN2 P49810 2/20 0.43
▸ APH1B Q8WW43 2/20 0.43
▸ NCSTN Q92542 2/20 0.43
▸ APH1A Q96BI3 2/20 0.43
▸ PSENEN Q9NZ42 2/20 0.43
▸ KDR P35968 2/20 0.42
▸ FLT4 P35916 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ KIT P10721 1/20 0.42
▸ FGFR1 P11362 1/20 0.42

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
SCHEMBL2115891 0.89 MEN1 (0.48) EGFRPDGFRBRETKDRKIT
SCHEMBL2118752 0.82 KDR (0.46) LRRK2EGFRPDGFRBRETKDR
SCHEMBL394231 0.80 FLT3 (0.50) PDGFRBKDRFLT4FLT3KIT
SCHEMBL2116963 0.80 PDGFRB (0.46) EGFRPDGFRBRETKDRKIT
SCHEMBL722802 0.80 ALK (0.52) LRRK2EGFRPDGFRBRETKDR
SCHEMBL2113955 0.79 MEN1 (0.43) LRRK2EGFRPDGFRBRETKDR
SCHEMBL6734453 0.79 LRRK2 (0.41) LRRK2ZAP70IDO1TDO2TGM2
SCHEMBL2114116 0.78 LRRK2 (0.42) LRRK2EGFRPDGFRBRETKDR
SCHEMBL2115792 0.78 NTRK1 (0.43) EGFRPDGFRBRETKDRFLT3
SCHEMBL2116213 0.78 FGFR1 (0.51) EGFRPDGFRBKDRFLT4FLT3

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 580/4885ZAP70 180/4885IDO1 2624/4885

“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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