SCHEMBL2116213

SCHEMBL2116213

COc1cccc(-c2ccc3c(c2)NC(=O)C3=Cc2c(C)c(C(=O)O)c(C)n2C(C(N)=O)N(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 11/20 0.51
▸ KDR P35968 11/20 0.51
▸ PDGFRB P09619 11/20 0.51
▸ EGFR P00533 6/20 0.51
▸ SRC P12931 1/20 0.44
▸ CHEK1 O14757 4/20 0.43
▸ FLT3 P36888 3/20 0.42
▸ KIT P10721 1/20 0.42
▸ FLT4 P35916 1/20 0.42
▸ PDPK1 O15530 1/20 0.41
▸ AKT2 P31751 1/20 0.41
▸ AURKB Q96GD4 2/20 0.39
▸ AURKA O14965 1/20 0.39
▸ MET P08581 1/20 0.39
▸ AURKC Q9UQB9 1/20 0.39

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
SCHEMBL2118752 0.91 KDR (0.46) FGFR1KDRPDGFRBEGFRSRC
SCHEMBL2114117 0.84 KDR (0.46) FGFR1KDRPDGFRBEGFRSRC
SCHEMBL2115512 0.82 KDR (0.49) FGFR1KDRPDGFRBEGFRSRC
SCHEMBL7009166 0.81 KDR (0.37) FGFR1KDRPDGFRBEGFRSRC
SCHEMBL2114389 0.79 FLT3 (0.41) FGFR1KDRPDGFRBEGFRCHEK1
SCHEMBL2116248 0.79 KDR (0.40) FGFR1KDRPDGFRBEGFRCHEK1
SCHEMBL394231 0.79 FLT3 (0.50) KDRPDGFRBFLT3KITFLT4
SCHEMBL2115891 0.78 MEN1 (0.48) FGFR1KDRPDGFRBEGFRKIT
SCHEMBL2113945 0.78 LRRK2 (0.45) FGFR1KDRPDGFRBEGFRFLT3
SCHEMBL2114116 0.78 LRRK2 (0.42) FGFR1KDRPDGFRBEGFRSRC

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 2 patents. 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
US-7125905-B2 Pyrrole substituted 2-indolinone protein kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2006-10-24 — — 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 FGFR1 462/4885KDR 395/4885PDGFRB 555/4885

“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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