SCHEMBL6635249

SCHEMBL6635249

CN(C(=O)c1ccc2c(c1)nc(N)n2CCCO)C1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITK Q08881 17/20 0.64
BACE1 P56817 2/20 0.63
CNR2 P34972 1/20 0.51

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
SCHEMBL6778057 0.86 BACE1 (0.64) ITKBACE1CNR2
SCHEMBL6632543 0.78 ITK (1.00) ITK
SCHEMBL6770253 0.72 ITK (1.00) ITK
SCHEMBL19436506 0.70 JAK2 (0.62) BACE1
SCHEMBL19436566 0.70 JAK2 (0.62) BACE1
SCHEMBL6771407 0.70 ITK (0.88) ITK
SCHEMBL18632101 0.70 BACE1 (0.53) ITKBACE1
SCHEMBL18687518 0.70 ITK (0.44) ITKCNR2
SCHEMBL6469077 0.70 ITK (0.50) ITKBACE1
SCHEMBL6622671 0.70 POLB (0.47) ITKCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1612733-A Benzimidazoles useful as protein kinase inhibitors BOEHRINGER INGELHEIM PHARMA (US) 2005-05-04 CN disclosed
US-6825219-B2 NITROGEN COMPOUNDS SUCH AS 4-((5-(CYCLOHEXYL-METHYL-CARBAMOYL) -2(THIOPHENE-2-CARBONYL)-AMINO)BENZIMIDAZOL-1-YL)-BUTYRIC ACID ADMINISTERED FOR THE PROPHYLAXIS OF INFLAMMATORY, IMMUNOLOGICAL AND ALLERGIC DISORDERS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-11-30 US disclosed
EP-1448199-A1 BENZIMIDAZOLES USEFUL AS PROTEIN KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-08-25 EP disclosed
US-20030144281-A1 Substituted benzimidazole compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-07-31 US disclosed
WO-2003041708-A1 BENZIMIDAZOLES USEFUL AS PROTEIN KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-05-22 WO 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-20030144281-A1 Substituted benzimidazole compounds HRH2, HRH4, HRH1 ITK 1721/4885BACE1 1541/4885CNR2 806/4885

“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.