SCHEMBL4490543

SCHEMBL4490543

COC(=O)Nc1ccc(/C(Nc2ccc(N(CCN(C)C)C(C)=O)cc2)=C2/C(=O)Nc3cc(F)ccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.37
TGM2 P21980 1/20 0.35
PDGFRB P09619 2/20 0.34
MAPT P10636 1/20 0.34
FLT3 P36888 3/20 0.34
KDR P35968 2/20 0.33
BRD4 O60885 2/20 0.33
CCNT1 O60563 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
GSK3B P49841 3/20 0.32
HTR1F P30939 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
LIMK1 P53667 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
OPRM1 P35372 1/20 0.31

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
SCHEMBL4490548 1.00 BACE1 (0.37) BACE1TGM2PDGFRBMAPTFLT3
SCHEMBL4499459 0.95 FLT3 (0.36) BACE1TGM2PDGFRBMAPTFLT3
SCHEMBL4499455 0.95 FLT3 (0.36) BACE1TGM2PDGFRBMAPTFLT3
SCHEMBL6182458 0.91 BACE1 (0.41) BACE1TGM2PDGFRBMAPTFLT3
SCHEMBL4494303 0.91 BACE1 (0.41) BACE1TGM2PDGFRBMAPTFLT3
SCHEMBL4494308 0.91 BACE1 (0.41) BACE1TGM2PDGFRBMAPTFLT3
SCHEMBL4486749 0.90 NPC1 (0.36) MAPTFLT3GSK3BLIMK1ALDH1A1
SCHEMBL4486757 0.90 NPC1 (0.36) MAPTFLT3GSK3BLIMK1ALDH1A1
SCHEMBL227870 0.89 BACE1 (0.36) BACE1TGM2PDGFRBMAPTFLT3
SCHEMBL227869 0.89 BACE1 (0.36) BACE1TGM2PDGFRBMAPTFLT3

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 1615/4885TGM2 4379/4885PDGFRB 105/4885

“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.