SCHEMBL2115188

SCHEMBL2115188

CCN(CC)C(C(N)=O)n1c(C=C2C(=O)Nc3cc(-c4ccccc4)ccc32)ccc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 10/20 0.43
▸ KDR P35968 10/20 0.43
▸ FGFR1 P11362 8/20 0.43
▸ EGFR P00533 5/20 0.43
▸ CHEK1 O14757 7/20 0.40
▸ SRC P12931 2/20 0.40
▸ CDK2 P24941 1/20 0.38
▸ AURKB Q96GD4 2/20 0.38
▸ DAPK3 O43293 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ RET P07949 1/20 0.38
▸ MET P08581 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ FLT1 P17948 1/20 0.38

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
SCHEMBL2114117 0.83 KDR (0.46) PDGFRBKDRFGFR1EGFRCHEK1
SCHEMBL2116155 0.82 MEN1 (0.47) PDGFRBKDRFGFR1EGFRSRC
SCHEMBL2114542 0.77 PDGFRB (0.45) PDGFRBKDRFGFR1EGFRCHEK1
SCHEMBL2114116 0.76 LRRK2 (0.42) PDGFRBKDRFGFR1EGFRSRC
SCHEMBL2114389 0.75 FLT3 (0.41) PDGFRBKDRFGFR1EGFRCHEK1
SCHEMBL2116248 0.74 KDR (0.40) PDGFRBKDRFGFR1EGFRCHEK1
SCHEMBL2113982 0.73 KDR (0.47) PDGFRBKDRFGFR1EGFRCHEK1
SCHEMBL2118752 0.73 KDR (0.46) PDGFRBKDRFGFR1EGFRCHEK1
SCHEMBL399058 0.69 FLT3 (0.48) PDGFRBKDRAURKBNTRK1MET
SCHEMBL2115597 0.68 MEN1 (0.41) PDGFRBKDRFGFR1EGFRSRC

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 PDGFRB 555/4885KDR 395/4885FGFR1 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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