SCHEMBL5344552

SCHEMBL5344552

CCN(CC)CC(C(C)C)N(Cc1cccc(NC(=O)Nc2csc(-c3ccncc3)n2)n1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 12/20 0.44
CDK5R1 Q15078 12/20 0.44
ROCK1 Q13464 2/20 0.39
DYRK1A Q13627 1/20 0.36
GPR142 Q7Z601 1/20 0.35
CCNA2 P20248 3/20 0.35
CDK2 P24941 3/20 0.35
CCNA1 P78396 3/20 0.35
ROCK2 O75116 1/20 0.32
SREBF2 Q12772 1/20 0.32
ACKR3 P25106 1/20 0.31
NTRK1 P04629 1/20 0.31
MAP3K5 Q99683 1/20 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
SCHEMBL5348210 0.89 CDK5 (0.50) CDK5CDK5R1ROCK1DYRK1AGPR142
SCHEMBL7061478 0.86 CDK5 (0.44) CDK5CDK5R1ROCK1DYRK1AGPR142
SCHEMBL14558417 0.84 CDK5 (0.46) CDK5CDK5R1ROCK1DYRK1AGPR142
SCHEMBL7061483 0.84 CDK5 (0.42) CDK5CDK5R1ROCK1DYRK1AGPR142
SCHEMBL5341862 0.83 CDK5 (0.46) CDK5CDK5R1ROCK1CCNA2CDK2
SCHEMBL5341200 0.81 CDK5 (0.60) CDK5CDK5R1ROCK1DYRK1AGPR142
SCHEMBL5343066 0.79 CDK5 (0.51) CDK5CDK5R1ROCK1DYRK1AGPR142
SCHEMBL6629791 0.76 CDK5 (0.54) CDK5CDK5R1ROCK1DYRK1AGPR142
SCHEMBL5337903 0.76 CHRNB2 (0.31)
SCHEMBL5354963 0.76 XIAP (0.37)

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 11 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-1619184-A2 Urea compounds as kinase inhibitors Amgen, Inc. (US) 2006-01-25 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
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.