SCHEMBL2390880

SCHEMBL2390880

CCOC(=O)CC(=O)C1CCCN(C(=O)C(C)NC(=O)c2cnc3n2C(C)(Cc2ccc(OC(F)(F)F)cc2)C(=O)N3c2cc(Cl)cc(Cl)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 18/20 0.42
ITGB2 P05107 17/20 0.42
ICAM1 P05362 17/20 0.42
TMEM97 Q5BJF2 1/20 0.41
LMNA P02545 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
SCHEMBL2390875 1.00 ITGAL (0.42) ITGALITGB2ICAM1TMEM97LMNA
SCHEMBL2396716 0.86 TMEM97 (0.46) ITGALITGB2ICAM1TMEM97
SCHEMBL2396711 0.86 TMEM97 (0.46) ITGALITGB2ICAM1TMEM97
SCHEMBL12310342 0.84 TMEM97 (0.43) ITGALITGB2ICAM1TMEM97
SCHEMBL12259729 0.84 TMEM97 (0.47) ITGALITGB2ICAM1TMEM97
SCHEMBL2394262 0.84 TMEM97 (0.47) ITGALITGB2ICAM1TMEM97
SCHEMBL2392853 0.84 TMEM97 (0.45) ITGALITGB2ICAM1TMEM97
SCHEMBL2390407 0.84 TMEM97 (0.43) ITGALITGB2ICAM1TMEM97
SCHEMBL12259730 0.84 TMEM97 (0.45) ITGALITGB2ICAM1TMEM97
SCHEMBL2414619 0.83 TMEM97 (0.54) ITGALITGB2ICAM1TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225238-B1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZOÝ1,2- ¨IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INT (DE) 2014-09-03 EP disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 ITGAL 74/4885ITGB2 346/4885ICAM1 4/4885

“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.