SCHEMBL2394410

SCHEMBL2394410

CC1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(I)n21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 20/20 1.00
ICAM1 P05362 20/20 1.00
ITGAL P20701 20/20 1.00

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
SCHEMBL2394405 1.00 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL4242841 0.89 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL13817194 0.89 ITGB2 (0.84) ITGB2ICAM1ITGAL
SCHEMBL4242837 0.89 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL13817008 0.88 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL13817299 0.87 ITGB2 (0.77) ITGB2ICAM1ITGAL
SCHEMBL13817023 0.87 ITGB2 (0.76) ITGB2ICAM1ITGAL
SCHEMBL13817324 0.86 ITGB2 (0.76) ITGB2ICAM1ITGAL
SCHEMBL4238585 0.86 ITGB2 (0.75) ITGB2ICAM1ITGAL
SCHEMBL4238582 0.86 ITGB2 (0.75) ITGB2ICAM1ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552205-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-15 US disclosed
EP-2225238-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZOÝ1,2- ¨IMIDAZOLE-3- CARBOXYLIC ACID AMIDES Boehringer Ingelheim International GmbH (DE) 2010-09-08 EP disclosed
US-7550494-B2 Small molecules useful in the treatment of inflammatory disease BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 US disclosed
US-7550494-B2 Small molecules useful in the treatment of inflammatory disease BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 US disclosed
WO-2009070485-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-α]IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 WO disclosed
US-20090088571-A1 Synthesis of 6,7-Dihydro-5H-imidazo[1,2-a]imidazole-3-sulfonic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-02 US disclosed
US-7462637-B2 Derivatives of [6,7-dihydro-5H-imidazo[1,2--a]imidazole-3-sulfonyl]-pyrrolidine-2-carboxylic acid amide BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-12-09 US disclosed
EP-1216247-B1 IMIDAZOIMIDAZOLES AND TRIAZOLES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2008-11-05 EP disclosed
EP-1558248-A1 DERIVATIVES OF [6,7-DIHYDRO-5H-IMIDAZO[1,2-A]IMIDAZOLE-3-SULFONYL]-PYRROLIDINE-2-CARBOXYLIC ACID AMIDE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-08-03 EP disclosed
US-20050054704-A1 Derivatives of [6,7-dihydro-5H- Imidazo[1,2-a]imidazole-3-sulfonyl]-pyrrolidine-2-carboxylic acid amide BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-03-10 US disclosed
WO-2004041273-A1 DERIVATIVES OF [6,7-DIHYDRO-5H-IMIDAZO[1,2-α]IMIDAZOLE-3-SULFONYL]-PYRROLIDINE-2-CARBOXYLIC ACID AMIDE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-05-21 WO disclosed
US-6441183-B1 USEFUL AS AN INTERMEDIATE IN THE PREPARATION OF CERTAIN SMALL MOLECULES THAT ARE USEFUL IN THERAPY OR PROPHYLAXIS OF INFLAMMATORY AND IMMUNE CELL-MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-08-27 US disclosed
US-6437148-B1 2-(ALKOXYCARBONYLMETHYLIMINO),3-(3,5-DICHLOROPHENYL), 5-METHYL-5-(4-BROMOBENZYL)IMIDAZOLIDIN-4-ONE; INTERMEDIATE FOR DRUGS USEFUL IN TREATING INFLAMMATORY AND IMMUNE CELL-MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-08-20 US disclosed
US-20020087009-A1 INTERMEDIATES FOR (R)-3(4-BROMOBENZYL)-1-(3,5-DICHLOROPHENYL)-5-IODO-3-METHYL-1-H-IMIDAZO[1,2-A] IMIDAZOL-2-ONE FRUTOS ROGELIO P (US) 2002-07-04 US disclosed
US-20020082441-A1 Useful as an intermediate in preparation of certain small molecules that are useful in therapy or prophylaxis of inflammatory and immune cell-mediated diseases FRUTOS ROGELIO P (US) 2002-06-27 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 (5 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-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES HPGDS, COL14A1, ARG1 ITGB2 346/4885ICAM1 4/4885ITGAL 74/4885
US-20020087009-A1 INTERMEDIATES FOR (R)-3(4-BROMOBENZYL)-1-(3,5-DICHLOROPHENYL)-5-IODO-3-METHYL-1-H-IMIDAZO[1,2-A] IMIDAZOL-2-ONE IRAK1, IRAK3, TLR1 ITGB2 804/4885ICAM1 10/4885ITGAL 862/4885
US-20050054704-A1 Derivatives of [6,7-dihydro-5H- Imidazo[1,2-a]imidazole-3-sulfonyl]-pyrrolidine-2-carboxylic acid amide ARG1, HPGDS, MIF ITGB2 700/4885ICAM1 4/4885ITGAL 152/4885
US-20090088571-A1 Synthesis of 6,7-Dihydro-5H-imidazo[1,2-a]imidazole-3-sulfonic acid amides ICAM1, CD14, VCAM1 ITGB2 125/4885ICAM1 1/4885ITGAL 33/4885
US-20020082441-A1 Useful as an intermediate in preparation of certain small molecules that are useful in therapy or prophylaxis of inflammatory and immune cell-mediated diseases ICAM1, MYD88, IRAK1 ITGB2 759/4885ICAM1 1/4885ITGAL 800/4885

“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.