SCHEMBL5345512

SCHEMBL5345512

CN1CCC(CCOc2cccc(NC(=O)Nc3csc(-c4ccncc4)n3)n2)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 7/20 0.61
CDK5R1 Q15078 7/20 0.61
ROCK1 Q13464 4/20 0.48
DYRK1A Q13627 1/20 0.46
IKBKE Q14164 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
CCNA2 P20248 3/20 0.39
CDK2 P24941 3/20 0.39
CCNA1 P78396 3/20 0.39
ACHE P22303 4/20 0.38
GSK3B P49841 4/20 0.38
BCHE P06276 3/20 0.38
NOX1 Q9Y5S8 1/20 0.36
ROCK2 O75116 2/20 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
SCHEMBL5342684 0.91 CDK5 (0.62) CDK5CDK5R1ROCK1DYRK1AIKBKE
SCHEMBL6630678 0.91 CDK5 (0.53) CDK5CDK5R1ROCK1DYRK1AIKBKE
SCHEMBL6632115 0.91 CDK5 (0.51) CDK5CDK5R1ROCK1DYRK1ACCNA2
SCHEMBL5345440 0.89 CDK5 (0.59) CDK5CDK5R1ROCK1DYRK1AIKBKE
SCHEMBL5344526 0.89 CDK5 (0.49) CDK5CDK5R1ROCK1DYRK1A
SCHEMBL5338010 0.88 CDK5 (0.53) CDK5CDK5R1ROCK1DYRK1ATBK1
SCHEMBL5343463 0.87 CDK5 (0.47) CDK5CDK5R1ROCK1DYRK1A
SCHEMBL5342297 0.85 CDK5 (0.47) CDK5CDK5R1DYRK1ACCNA2CDK2
SCHEMBL5346925 0.85 CDK5 (0.54) CDK5CDK5R1DYRK1ACCNA2CDK2
SCHEMBL5345589 0.85 CDK5 (0.66) CDK5CDK5R1ROCK1DYRK1AIKBKE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 US disclosed
US-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 US disclosed
US-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 US disclosed
EP-1309589-B1 UREA COMPOUNDS AND METHODS OF USES AMGEN INC (US) 2006-03-15 EP disclosed
EP-1619184-A2 Urea compounds as kinase inhibitors Amgen, Inc. (US) 2006-01-25 EP disclosed
EP-1483263-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER Amgen Inc. (US) 2004-12-08 EP disclosed
US-20040044044-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-03-04 US disclosed
US-20040039029-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-02-26 US disclosed
US-6645990-B2 For prophylaxis and therapy of diseases, such as cell proliferation or apoptosis mediated diseases AMGEN INC. 2003-11-11 US disclosed
WO-2003070727-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2003-08-28 WO disclosed
EP-1309589-A2 UREA COMPOUNDS AND METHODS OF USES Amgen Inc. (US) 2003-05-14 EP disclosed
US-20020193405-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2002-12-19 US disclosed
US-20020173507-A1 Urea compounds and methods of uses AMGEN INC. 2002-11-21 US disclosed
WO-2002014311-A2 UREA COMPOUNDS AND METHODS OF USES AMGEN INC. (US) 2002-02-21 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 (4 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-20020193405-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 64/4885CDK5R1 359/4885ROCK1 3731/4885
US-20020173507-A1 Urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 40/4885CDK5R1 244/4885ROCK1 3616/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 64/4885CDK5R1 359/4885ROCK1 3731/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 64/4885CDK5R1 359/4885ROCK1 3731/4885

“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.