SCHEMBL4149397

SCHEMBL4149397

CNC(=O)N(C)C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.81
PDGFRB P09619 11/20 0.65
KDR P35968 10/20 0.65
PRKAA1 Q13131 7/20 0.65
FGFR1 P11362 7/20 0.65
PRKAA2 P54646 6/20 0.65
HDAC3 O15379 3/20 0.62
HDAC4 P56524 3/20 0.62
HDAC1 Q13547 3/20 0.62
HDAC7 Q8WUI4 3/20 0.62
HDAC2 Q92769 3/20 0.62
HDAC10 Q969S8 3/20 0.62
HDAC11 Q96DB2 3/20 0.62
HDAC8 Q9BY41 3/20 0.62
HDAC6 Q9UBN7 3/20 0.62
HDAC9 Q9UKV0 3/20 0.62
HDAC5 Q9UQL6 3/20 0.62
TLK2 Q86UE8 3/20 0.61
PLK4 O00444 2/20 0.61
DCLK1 O15075 2/20 0.61

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
SCHEMBL859965 0.90 ALK (1.00) ALKPDGFRBKDRPRKAA1FGFR1
SCHEMBL859966 0.90 ALK (1.00) ALKPDGFRBKDRPRKAA1FGFR1
SCHEMBL16085063 0.86 ALK (0.80) ALKPDGFRBKDRPRKAA1FGFR1
SCHEMBL13755254 0.85 ALK (0.78) ALKPDGFRBKDRPRKAA1FGFR1
SCHEMBL19622467 0.83 ALK (0.75) ALKPDGFRBKDRPRKAA1FGFR1
SCHEMBL6587955 0.82 ALK (0.83) ALKPDGFRBKDRPRKAA1FGFR1
SCHEMBL3268874 0.82 ALK (0.83) ALKPDGFRBKDRPRKAA1FGFR1
SCHEMBL8210235 0.82 ALK (0.83) ALKPDGFRBKDRPRKAA1FGFR1
SCHEMBL27919661 0.81 ALK (0.81) ALKPDGFRBKDRPRKAA1FGFR1
SCHEMBL1628164 0.81 ALK (0.78) ALKPDGFRBKDRPRKAA1FGFR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971333-A4 AMINO ACID DERIVATIVES OF INDOLINONE BASED PROTEIN KINASE INHIBITORS SCRIPPS RESEARCH INST (US) 2009-05-20 EP disclosed
US-20090068718-A1 AMINO ACID DERIVATIVES OF INDOLINONE BASED PROTEIN KINASE INHIBITORS LIANG CONGXIN 2009-03-12 US disclosed
US-20080269212-A1 Amino acid derivatives of indolinone based protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2008-10-30 US disclosed
EP-1971333-A2 AMINO ACID DERIVATIVES OF INDOLINONE BASED PROTEIN KINASE INHIBITORS The Scripps Research Institute (US) 2008-09-24 EP disclosed
WO-2007081560-A2 AMINO ACID DERIVATIVES OF INDOLINONE BASED PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2007-07-19 WO 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 (2 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-20080269212-A1 Amino acid derivatives of indolinone based protein kinase inhibitors PHKG1, MAP3K20, MKNK1 ALK 620/4885PDGFRB 817/4885KDR 875/4885
US-20090068718-A1 AMINO ACID DERIVATIVES OF INDOLINONE BASED PROTEIN KINASE INHIBITORS PHKG1, MAP3K20, MKNK1 ALK 620/4885PDGFRB 817/4885KDR 875/4885

“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.