Sugi Predict

Sugi Predict / Compounds / SCHEMBL4479404

SCHEMBL4479404

SCHEMBL4479404

Cc1[nH]c(C(F)=C2C(=O)Nc3ccccc32)c(C)c1C(=O)NCC[C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 11/20 0.38
▸ KDR P35968 10/20 0.38
▸ FGFR1 P11362 7/20 0.38
▸ PRKAA1 Q13131 7/20 0.38
▸ PRKAA2 P54646 6/20 0.38
▸ TLK2 Q86UE8 3/20 0.34
▸ RET P07949 3/20 0.33
▸ FLT3 P36888 3/20 0.33
▸ ABL1 P00519 2/20 0.33
▸ ALK Q9UM73 2/20 0.33
▸ HDAC3 O15379 2/20 0.32
▸ HDAC4 P56524 2/20 0.32
▸ HDAC1 Q13547 2/20 0.32
▸ HDAC7 Q8WUI4 2/20 0.32
▸ HDAC2 Q92769 2/20 0.32
▸ HDAC10 Q969S8 2/20 0.32
▸ HDAC11 Q96DB2 2/20 0.32
▸ HDAC8 Q9BY41 2/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.32
▸ HDAC9 Q9UKV0 2/20 0.32

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
SCHEMBL4479409 1.00 PDGFRB (0.38) PDGFRBKDRFGFR1PRKAA1PRKAA2
SCHEMBL14276355 0.78 PDGFRB (0.62) PDGFRBKDRFGFR1PRKAA1PRKAA2
SCHEMBL2342762 0.73 KDR (0.65) PDGFRBKDRFGFR1PRKAA1PRKAA2
SCHEMBL5550343 0.69 IDO1 (0.45) PDGFRBKDRFGFR1PRKAA1PRKAA2
SCHEMBL4639795 0.69 IDO1 (0.45) PDGFRBKDRFGFR1PRKAA1PRKAA2
SCHEMBL26965391 0.68 HCRTR2 (0.39) MEN1DRD2HTTKMT2A
SCHEMBL30886174 0.68 HCRTR2 (0.39) MEN1DRD2HTTKMT2A
SCHEMBL15887311 0.67 ACHE (0.44) MEN1ACHEKMT2A
Trifluoroacetic Acid SCHEMBL5513610 0.64 KDR (0.37) PDGFRBKDRFGFR1PRKAA1PRKAA2
SCHEMBL18737178 0.64 MIF (0.32) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1686987-A4 ADVANCED INDOLINONE BASED PROTEIN KINASE INHIBITORS SCRIPPS RESEARCH INST (US) 2009-02-25 — — EP disclosed
US-20080044881-A1 Advanced Indolinone Based Protein Kinase Inhibitors SCRIPPS RESEARCH INSTITUTE, THE 2008-02-21 — — US disclosed
US-20060287381-A1 Enhanced indolinone based protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2006-12-21 — — US disclosed
EP-1686987-A2 ADVANCED INDOLINONE BASED PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2006-08-09 — — EP disclosed
WO-2005053614-A2 ADVANCED INDOLINONE BASED PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2005-06-16 — — WO disclosed
WO-2005053686-A1 INDOLINONE BASED PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2005-06-16 — — 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-20060287381-A1 Enhanced indolinone based protein kinase inhibitors PHKG1, PHKG2, PRKCH PDGFRB 388/4885KDR 1562/4885FGFR1 1320/4885
US-20080044881-A1 Advanced Indolinone Based Protein Kinase Inhibitors PHKG1, PHKG2, HIPK1 PDGFRB 666/4885KDR 976/4885FGFR1 1586/4885

“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.