SCHEMBL223875

SCHEMBL223875

COC(=O)CCc1cccc(/C(Nc2ccc(N(CCCN(C)C)C(C)=O)cc2)=C2/C(=O)Nc3cc(F)ccc32)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.34
BACE1 P56817 1/20 0.34
PLK1 P53350 3/20 0.32
HDAC1 Q13547 1/20 0.32
NOD2 Q9HC29 2/20 0.32
NOD1 Q9Y239 2/20 0.32
SENP1 Q9P0U3 1/20 0.32
CHEK1 O14757 3/20 0.31
ROCK2 O75116 1/20 0.31
KDR P35968 3/20 0.31
PLK3 Q9H4B4 2/20 0.31
DAPK3 O43293 2/20 0.31
PRKD3 O94806 2/20 0.31
MAP4K4 O95819 2/20 0.31
PIM1 P11309 2/20 0.31
MAPK8 P45983 2/20 0.31
GSK3A P49840 2/20 0.31
PRKX P51817 2/20 0.31
JAK3 P52333 2/20 0.31
CDK5 Q00535 2/20 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
SCHEMBL223876 1.00 FLT3 (0.34) FLT3BACE1PLK1HDAC1NOD2
SCHEMBL226463 0.93 FLT3 (0.35) FLT3BACE1PLK1SENP1CHEK1
SCHEMBL228711 0.93 BACE1 (0.35) FLT3BACE1PLK1SENP1MAP4K4
SCHEMBL228710 0.93 BACE1 (0.35) FLT3BACE1PLK1SENP1MAP4K4
SCHEMBL226464 0.93 FLT3 (0.35) FLT3BACE1PLK1SENP1CHEK1
SCHEMBL225427 0.92 BACE1 (0.35) FLT3BACE1CHEK1KDRDAPK3
SCHEMBL225426 0.92 BACE1 (0.35) FLT3BACE1CHEK1KDRDAPK3
SCHEMBL225444 0.89 BACE1 (0.37) FLT3BACE1KDRPRKAA1AURKB
SCHEMBL225445 0.89 BACE1 (0.37) FLT3BACE1KDRPRKAA1AURKB
SCHEMBL224753 0.88 BACE1 (0.35) FLT3BACE1PLK1HDAC1SENP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140128409-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-08 US disclosed
EP-1523473-B1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2013-02-27 EP disclosed
US-20120004202-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 US disclosed
US-7858616-B2 Indolinone derivatives substituted in the 6 position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-12-28 US disclosed
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-08-06 US disclosed
US-7547703-B2 Indoline derivatives substituted in the 6-position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-06-16 US disclosed
EP-1835907-B1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2009-04-22 EP disclosed
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-7169936-B2 Indolinone derivatives substituted in the 6-position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-30 US disclosed
US-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS ROTH GERALD J 2007-01-04 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
US-20060148883-A1 Medicaments for the Treatment or Prevention of Fibrotic Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-06 US disclosed
US-20050043389-A1 Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-02-24 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 (7 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-20060148883-A1 Medicaments for the Treatment or Prevention of Fibrotic Diseases COL1A1, MMP1, FOXM1 FLT3 4425/4885BACE1 2383/4885PLK1 2901/4885
US-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, EGFR FLT3 43/4885BACE1 2157/4885PLK1 100/4885
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR FLT3 34/4885BACE1 1615/4885PLK1 86/4885
US-20050043389-A1 Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments KDR, FLT1, EGFR FLT3 43/4885BACE1 2157/4885PLK1 100/4885
US-20140128409-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 FLT3 4425/4885BACE1 2383/4885PLK1 2901/4885
US-20120004202-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 FLT3 4425/4885BACE1 2383/4885PLK1 2901/4885
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, ERBB2 FLT3 40/4885BACE1 2291/4885PLK1 83/4885

“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.