SCHEMBL2114496

SCHEMBL2114496

Cc1c(C(=O)O)c(C)n(C(C(N)=O)N2CCCC2)c1C=C1C(=O)Nc2ccc(-c3ccccc3)cc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.42
▸ RAF1 P04049 1/20 0.42
▸ SRC P12931 1/20 0.39
▸ ALK Q9UM73 2/20 0.39
▸ AKT2 P31751 5/20 0.39
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ KDR P35968 4/20 0.37
▸ PDGFRB P09619 4/20 0.37
▸ FGFR1 P11362 3/20 0.37
▸ EGFR P00533 2/20 0.37
▸ PDPK1 O15530 1/20 0.36
▸ TLK2 Q86UE8 1/20 0.36
▸ FLT3 P36888 4/20 0.35
▸ CHEK1 O14757 2/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ RET P07949 1/20 0.35
▸ KIT P10721 1/20 0.35
▸ FLT4 P35916 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
SCHEMBL2114212 0.93 KDR (0.44) SRCMAOAMAOBKDRPDGFRB
SCHEMBL2117957 0.88 MEN1 (0.46) SRCALKKDRPDGFRBFGFR1
SCHEMBL1673441 0.88 ALK (0.52) LRRK2SRCALKKDRPDGFRB
SCHEMBL2114981 0.86 CHEK1 (0.40) SRCKDRPDGFRBFGFR1EGFR
SCHEMBL2114657 0.85 CHEK1 (0.41) SRCKDRPDGFRBFGFR1EGFR
SCHEMBL2118294 0.85 MEN1 (0.42) LRRK2SRCALKKDRPDGFRB
SCHEMBL2114228 0.85 SRC (0.45) SRCALKKDRPDGFRBFGFR1
SCHEMBL2116233 0.85 FLT3 (0.41) LRRK2RAF1ALKAKT2KDR
SCHEMBL2114010 0.83 CHEK1 (0.39) SRCKDRPDGFRBFGFR1EGFR
SCHEMBL393773 0.82 TLK2 (0.48) AKT2KDRPDPK1TLK2FLT3

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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