SCHEMBL227011

SCHEMBL227011

CN(C)Cc1ccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2ccc(CCC(=O)N(C)C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.41
CHEK1 O14757 2/20 0.38
MCHR1 Q99705 3/20 0.38
TGM2 P21980 1/20 0.34
CASP3 P42574 1/20 0.34
FLT3 P36888 3/20 0.33
CTNNB1 P35222 1/20 0.33
TCF7L2 Q9NQB0 1/20 0.33
LSS P48449 1/20 0.33
FFAR1 O14842 1/20 0.33
ROCK2 O75116 1/20 0.33
CCR9 P51686 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
AURKA O14965 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
KDR P35968 1/20 0.33
AURKB Q96GD4 1/20 0.33
AURKC Q9UQB9 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
SCHEMBL227012 1.00 BACE1 (0.41) BACE1CHEK1MCHR1TGM2CASP3
SCHEMBL5314059 0.92 BACE1 (0.41) BACE1MCHR1TGM2FFAR1AURKA
SCHEMBL228448 0.92 BACE1 (0.41) BACE1MCHR1TGM2FFAR1AURKA
SCHEMBL228447 0.92 BACE1 (0.41) BACE1MCHR1TGM2FFAR1AURKA
SCHEMBL226980 0.92 CHEK1 (0.41) BACE1CHEK1MCHR1FFAR1ROCK2
SCHEMBL226981 0.92 CHEK1 (0.41) BACE1CHEK1MCHR1FFAR1ROCK2
Hydrochloric Acid SCHEMBL1943759 0.91 BACE1 (0.41) BACE1MCHR1TGM2FFAR1AURKA
SCHEMBL225157 0.91 BACE1 (0.41) BACE1MCHR1TGM2CASP3FLT3
SCHEMBL225158 0.91 BACE1 (0.41) BACE1MCHR1TGM2CASP3FLT3
Hydrochloric Acid SCHEMBL1943757 0.91 BACE1 (0.41) BACE1MCHR1TGM2FFAR1AURKA

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 21 patents — showing the first 20. 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
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-7501444-B2 Prenylation inhibitors and methods of their synthesis and use PPD DISCOVERY, INC. (US) 2009-03-10 US disclosed
EP-1835907-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES Boehringer Ingelheim International GmbH (DE) 2007-09-26 EP 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-7112596-B2 Prenylation inhibitors and methods of their synthesis and use PPD DISCOVERY, INC. (US) 2006-09-26 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
WO-2006067175-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-29 WO disclosed
US-20060025454-A1 Prenylation inhibitors and methods of their synthesis and use PPD DISCOVERY, INC. (US) 2006-02-02 US disclosed
US-6960603-B2 Prenylation inhibitors and methods of their synthesis and use PPD DISCOVERY, INC. (US) 2005-11-01 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
US-20040053970-A1 Prenylation inhibitors and methods of their synthesis and use PPD DISCOVERY, INC. 2004-03-18 US disclosed
US-6649638-B1 5-Pyridin-3-yl-1H-pyrazole-3-carboxylic amide derivatives; cancer, restenosis, psoriasis, endometriosis, atherosclerosis, viral or yeast infection, and corneal neovascularization treatment PPD DISCOVERY, INC. 2003-11-18 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 (9 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 BACE1 2383/4885CHEK1 4456/4885MCHR1 1310/4885
US-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, EGFR BACE1 2157/4885CHEK1 712/4885MCHR1 664/4885
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR BACE1 1615/4885CHEK1 430/4885MCHR1 666/4885
US-20050043389-A1 Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments KDR, FLT1, EGFR BACE1 2157/4885CHEK1 712/4885MCHR1 664/4885
US-20060025454-A1 Prenylation inhibitors and methods of their synthesis and use FNTA, RCE1, GGPS1 BACE1 3076/4885CHEK1 4116/4885MCHR1 4515/4885
US-20040053970-A1 Prenylation inhibitors and methods of their synthesis and use FNTA, RCE1, GGPS1 BACE1 3076/4885CHEK1 4116/4885MCHR1 4515/4885
US-20140128409-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 BACE1 2383/4885CHEK1 4456/4885MCHR1 1310/4885
US-20120004202-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 BACE1 2383/4885CHEK1 4456/4885MCHR1 1310/4885
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, ERBB2 BACE1 2291/4885CHEK1 731/4885MCHR1 797/4885

“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.