SCHEMBL226498

SCHEMBL226498

CC(C)(C)OC(=O)NCc1cccc(/C(Nc2ccc(C(C)(C)N)cc2)=C2/C(=O)Nc3cc(F)ccc32)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
MTOR P42345 1/20 0.37
GRM2 Q14416 1/20 0.36
EPHX2 P34913 1/20 0.36
CCKBR P32239 1/20 0.36
PLK4 O00444 1/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
MAPK13 O15264 1/20 0.36
PDPK1 O15530 1/20 0.36
DAPK3 O43293 1/20 0.36
DYRK3 O43781 1/20 0.36
RPS6KA5 O75582 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
CHEK2 O96017 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
PRKCG P05129 1/20 0.36

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
SCHEMBL3527284 0.91 HDAC1 (0.41) GRM2EPHX2NAMPTBACE1HDAC1
SCHEMBL226499 0.89 ROCK2 (0.43) BRD4CREBBPGRM2CCKBRPLK4
SCHEMBL226500 0.89 ROCK2 (0.43) BRD4CREBBPGRM2CCKBRPLK4
SCHEMBL4504168 0.87 NAMPT (0.44) BRD4CREBBPGRM2CCKBRNAMPT
SCHEMBL226951 0.86 BACE1 (0.38) BRD4MTORAURKAAKT2KDR
SCHEMBL224460 0.85 CHEK1 (0.38) BRD4PLK4CHEK1AURKAMAPK13
SCHEMBL226957 0.85 NAMPT (0.36) BRD4CREBBPEPHX2PLK4CHEK1
SCHEMBL226958 0.85 NAMPT (0.36) BRD4CREBBPEPHX2PLK4CHEK1
SCHEMBL227645 0.84 BACE1 (0.39) BRD4PLK4CHEK1AURKAMAPK13
SCHEMBL228330 0.84 BACE1 (0.41) BRD4MTORKDRBACE1

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 9 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
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
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-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 (6 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 BRD4 1974/4885CREBBP 1274/4885MTOR 2458/4885
US-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, EGFR BRD4 1739/4885CREBBP 3644/4885MTOR 773/4885
US-20050043389-A1 Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments KDR, FLT1, EGFR BRD4 1739/4885CREBBP 3644/4885MTOR 773/4885
US-20140128409-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 BRD4 1974/4885CREBBP 1274/4885MTOR 2458/4885
US-20120004202-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 BRD4 1974/4885CREBBP 1274/4885MTOR 2458/4885
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, ERBB2 BRD4 1850/4885CREBBP 3551/4885MTOR 740/4885

“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.