SCHEMBL1304289

SCHEMBL1304289

Cn1cc(I)nc1C1CC1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
ADORA2A P29274 2/20 0.31
ADORA2B P29275 2/20 0.31

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
SCHEMBL14397368 0.75 RPS6KB1 (0.31)
SCHEMBL5042304 0.75 RET (0.32)
Hydrochloric Acid SCHEMBL3527705 0.73 RPS6KB1 (0.30)
SCHEMBL25159804 0.72 USP1 (0.32)
Ammonia Solution, Strong SCHEMBL1567873 0.71 JAK2 (0.33)
SCHEMBL27217069 0.71 ESR2 (0.32)
SCHEMBL27217065 0.71 ESR2 (0.32)
SCHEMBL27217055 0.71 ADORA2A (0.37) CCNE1CDK2ADORA2AADORA2B
SCHEMBL21453750 0.71 RPS6KB1 (0.33)
SCHEMBL15730371 0.68 TLR8 (0.39) CCNE1CDK2ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455528-B2 Imidazole derivatives useful as inhibitors of FAAH MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110269769-A1 IMIDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-11-03 US disclosed
EP-2300438-A1 IMIDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH Merck Sharp & Dohme Corp. (US) 2011-03-30 EP disclosed
US-7858804-B2 Process for making cytokine inhibiting compounds containing 4- and 5-imidazolyl rings and the intermediates thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-28 US disclosed
WO-2009152025-A1 IMIDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK & CO., INC. (US) 2009-12-17 WO disclosed
US-20090137815-A1 Process for Making Cytokine Inhibiting Compounds Containing 4- and 5-Imidazolyl Rings and the Intermediates Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 US disclosed
EP-2010522-A1 PROCESS FOR MAKING CYTOKINE INHIBITING COMPOUNDS CONTAINING 4- AND 5- IMIDAZOLYL RINGS AND THE INTERMEDIATES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-07 EP disclosed
EP-1644351-B1 Imidazole derivatives and their use in the treatment of mGluR5 receptor mediated disorders HOFFMANN LA ROCHE (CH) 2008-03-05 EP disclosed
WO-2007121390-A1 PROCESS FOR MAKING CYTOKINE INHIBITING COMPOUNDS CONTAINING 4- AND 5- IMIDAZOLYL RINGS AND THE INTERMEDIATES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-25 WO disclosed
US-7091222-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-08-15 US disclosed
EP-1644351-A1 IMIDAZOLE DERIVATIVES III F. HOFFMANN-LA ROCHE AG (CH) 2006-04-12 EP disclosed
WO-2005003117-A1 IMIDAZOLE DERIVATIVES III F. HOFFMANN-LA ROCHE AG (CH) 2005-01-13 WO disclosed
US-20050009878-A1 Imidazole derivatives F. HOFFMAN-LA ROCHE AG (CH) 2005-01-13 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 (3 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-20110269769-A1 IMIDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, HNMT CCNE1 1933/4885CDK2 494/4885ADORA2A 686/4885
US-20050009878-A1 Imidazole derivatives GRIK5, GRM5, GRIK4 CCNE1 3100/4885CDK2 1524/4885ADORA2A 745/4885
US-20090137815-A1 Process for Making Cytokine Inhibiting Compounds Containing 4- and 5-Imidazolyl Rings and the Intermediates Thereof MIF, IL4, IL4I1 CCNE1 3542/4885CDK2 1346/4885ADORA2A 3575/4885

“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.