SCHEMBL5349504

SCHEMBL5349504

CC(Oc1cccc(NC(=O)Nc2csc(-c3cccc(S(N)(=O)=O)c3)n2)n1)C1CCCN1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 8/20 0.39
CDK5R1 Q15078 8/20 0.39
CCNA2 P20248 3/20 0.37
CDK2 P24941 3/20 0.37
CCNA1 P78396 3/20 0.37
POLQ O75417 1/20 0.34
DYRK1A Q13627 1/20 0.34
CA2 P00918 5/20 0.33
CA9 Q16790 5/20 0.33
CA12 O43570 4/20 0.33
CA1 P00915 4/20 0.33
PDE4D Q08499 1/20 0.33
PDE7A Q13946 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
TYRO3 Q06418 1/20 0.32
MAP3K5 Q99683 1/20 0.32
CA4 P22748 1/20 0.32
ROCK1 Q13464 1/20 0.32

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
SCHEMBL6629769 0.88 CDK5 (0.45) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL6629776 0.88 CDK5 (0.45) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5341550 0.86 CDK5 (0.49) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5348521 0.85 CDK5 (0.49) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5345327 0.85 CDK5 (0.40) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5348169 0.81 CDK5 (0.41) CDK5CDK5R1MAP3K5
SCHEMBL5346428 0.81 CDK5 (0.33) CDK5CDK5R1
SCHEMBL5353323 0.80 P2RY1 (0.37) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5338114 0.80 BTK (0.36) CDK5CDK5R1MAP3K5
SCHEMBL5339283 0.77 CDK5 (0.30) CDK5CDK5R1

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 10 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 claimed
US-20040039029-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-02-26 US claimed
US-20020193405-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2002-12-19 US claimed
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 359/4885CCNA2 765/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 64/4885CDK5R1 359/4885CCNA2 765/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 64/4885CDK5R1 359/4885CCNA2 765/4885

“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.