SCHEMBL5338273

SCHEMBL5338273

NS(=O)(=O)c1ccc(C(=O)N2CCC(COc3cccc(NC(=O)Nc4csc(-c5ccncc5)n4)n3)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 4/20 0.44
CDK5R1 Q15078 4/20 0.44
CA2 P00918 14/20 0.41
CA1 P00915 13/20 0.41
CA9 Q16790 13/20 0.41
CA12 O43570 8/20 0.41
CA7 P43166 5/20 0.41
CA14 Q9ULX7 4/20 0.41
DYRK1A Q13627 1/20 0.40
ATXN2 Q99700 1/20 0.39
ROCK1 Q13464 1/20 0.36
CA4 P22748 5/20 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
SCHEMBL5342245 0.87 CDK5 (0.46) CDK5CDK5R1DYRK1AROCK1
SCHEMBL5342417 0.86 CDK5 (0.51) CDK5CDK5R1DYRK1AROCK1
SCHEMBL5342637 0.85 CDK5 (0.53) CDK5CDK5R1DYRK1AROCK1
SCHEMBL5348239 0.84 CDK5 (0.42) CDK5CDK5R1DYRK1AROCK1
SCHEMBL5341357 0.83 CDK5 (0.42) CDK5CDK5R1DYRK1AROCK1
SCHEMBL5345468 0.83 CDK5 (0.47) CDK5CDK5R1DYRK1AROCK1
SCHEMBL5342108 0.83 CDK5 (0.49) CDK5CDK5R1DYRK1AROCK1
SCHEMBL5345440 0.82 CDK5 (0.59) CDK5CDK5R1DYRK1AROCK1
SCHEMBL5345585 0.82 CDK5 (0.51) CDK5CDK5R1DYRK1AROCK1
SCHEMBL5348206 0.81 CDK5 (0.49) CDK5CDK5R1DYRK1AROCK1

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 9 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-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
US-20020193405-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2002-12-19 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-20020193405-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 64/4885CDK5R1 359/4885CA2 3173/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 64/4885CDK5R1 359/4885CA2 3173/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 64/4885CDK5R1 359/4885CA2 3173/4885

“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.