SCHEMBL3526085

SCHEMBL3526085

COC(=O)/C=C/c1cccc(/C(Nc2ccc(C(C)(C)N)cc2)=C2/C(=O)Nc3cc(Cl)ccc32)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
GSK3B P49841 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
KMT2A Q03164 4/20 0.36
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.36
LRRK2 Q5S007 1/20 0.36
CDYL2 Q8N8U2 1/20 0.36
CDYL Q9Y232 1/20 0.36
CDY1; CDY1B Q9Y6F8 1/20 0.36
IMPDH2 P12268 1/20 0.35
NR1H4 Q96RI1 2/20 0.35
RAB9A P51151 4/20 0.35

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
SCHEMBL228772 0.91 NPC1 (0.38) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL224208 0.91 LRRK2 (0.39) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL3526089 0.86 NR1H4 (0.43) NR1H4
SCHEMBL3526087 0.86 NR1H4 (0.43) NR1H4
SCHEMBL226890 0.85 MEN1 (0.39) MMP1MMP2MMP9KMT2AMAPT
SCHEMBL226891 0.85 MEN1 (0.39) MMP1MMP2MMP9KMT2AMAPT
SCHEMBL226892 0.85 MEN1 (0.39) MMP1MMP2MMP9KMT2AMAPT
SCHEMBL4487044 0.82 CES1 (0.39) KMT2AMAPTMEN1LRRK2RAB9A
SCHEMBL228470 0.82 MAOB (0.39) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL226490 0.82 RXFP1 (0.38) KMT2AMEN1LRRK2NR1H4RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
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
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
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 (4 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-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, EGFR CCNB2 273/4885CDK1 27/4885CCNB1 205/4885
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR CCNB2 593/4885CDK1 21/4885CCNB1 173/4885
US-20050043389-A1 Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments KDR, FLT1, EGFR CCNB2 273/4885CDK1 27/4885CCNB1 205/4885
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, ERBB2 CCNB2 350/4885CDK1 21/4885CCNB1 161/4885

“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.