Sugi Predict

Sugi Predict / Compounds / SCHEMBL4498293

SCHEMBL4498293

SCHEMBL4498293

CN(C)CCN(C(=O)Cc1ccccc1)c1ccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 0.38
▸ PTPRB P23467 1/20 0.35
▸ FLT3 P36888 2/20 0.35
▸ PDGFRB P09619 2/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ HDAC3 O15379 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ NCOR2 Q9Y618 2/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ PDK1 Q15118 2/20 0.33
▸ AURKA O14965 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ KDR P35968 1/20 0.33

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
SCHEMBL4498295 1.00 BACE1 (0.38) BACE1PTPRBFLT3PDGFRBCNR2
SCHEMBL4482258 0.92 BACE1 (0.39) BACE1FLT3PDGFRBAURKAPDGFRA
SCHEMBL4482260 0.92 BACE1 (0.39) BACE1FLT3PDGFRBAURKAPDGFRA
SCHEMBL4499513 0.92 BACE1 (0.41) BACE1FLT3PDGFRBNAMPTAURKA
SCHEMBL4499508 0.92 BACE1 (0.41) BACE1FLT3PDGFRBNAMPTAURKA
SCHEMBL4488268 0.90 KDM4E (0.36) CNR2HDAC3HDAC1HDAC2NCOR2
SCHEMBL4481354 0.90 TP53 (0.40) BACE1FLT3PDGFRBAURKAPDGFRA
SCHEMBL4488264 0.90 KDM4E (0.36) CNR2HDAC3HDAC1HDAC2NCOR2
SCHEMBL4481348 0.90 TP53 (0.40) BACE1FLT3PDGFRBAURKAPDGFRA
SCHEMBL4494308 0.90 BACE1 (0.41) BACE1FLT3PDGFRBAURKAPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 — — US disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 — — US disclosed
EP-1527046-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-04 — — EP disclosed
WO-2004009546-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-29 — — 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 (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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR BACE1 1615/4885PTPRB 601/4885FLT3 34/4885

“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.