SCHEMBL2114010

SCHEMBL2114010

CCCCc1ccc(-c2ccc3c(c2)NC(=O)C3=Cc2c(C)c(C(=O)O)c(C)n2C(C(N)=O)N2CCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 12/20 0.39
▸ PDGFRB P09619 8/20 0.38
▸ FGFR1 P11362 7/20 0.38
▸ KDR P35968 7/20 0.38
▸ EGFR P00533 3/20 0.38
▸ SRC P12931 2/20 0.37

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
SCHEMBL2114657 0.93 CHEK1 (0.41) CHEK1PDGFRBFGFR1KDREGFR
SCHEMBL2114212 0.89 KDR (0.44) CHEK1PDGFRBFGFR1KDREGFR
SCHEMBL2114981 0.84 CHEK1 (0.40) CHEK1PDGFRBFGFR1KDREGFR
SCHEMBL2114496 0.83 LRRK2 (0.42) CHEK1PDGFRBFGFR1KDREGFR
SCHEMBL2116233 0.83 FLT3 (0.41) CHEK1PDGFRBFGFR1KDREGFR
SCHEMBL2113949 0.81 KDR (0.41) CHEK1PDGFRBFGFR1KDREGFR
SCHEMBL2118573 0.79 CHEK1 (0.39) CHEK1PDGFRBFGFR1KDREGFR
SCHEMBL1673441 0.78 ALK (0.52) CHEK1PDGFRBFGFR1KDREGFR
SCHEMBL2117957 0.78 MEN1 (0.46) PDGFRBFGFR1KDREGFRSRC
SCHEMBL395533 0.78 FLT3 (0.48) PDGFRBKDR

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 CHEK1 716/4885PDGFRB 555/4885FGFR1 462/4885

“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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