SCHEMBL5337543

SCHEMBL5337543

O=C(Nc1cccc(NCCCOC2CCCCO2)n1)Nc1csc(-c2ccncc2)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 9/20 0.47
CDK5R1 Q15078 9/20 0.47
DYRK1A Q13627 1/20 0.44
CCNA2 P20248 5/20 0.44
CDK2 P24941 5/20 0.44
CCNA1 P78396 5/20 0.44
ROCK1 Q13464 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GPR142 Q7Z601 1/20 0.35
NPY5R Q15761 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
P2RX3 P56373 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
CPT1A P50416 1/20 0.33

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
SCHEMBL5348416 0.87 CDK5 (0.47) CDK5CDK5R1DYRK1ACCNA2CDK2
SCHEMBL5342480 0.77 CDK5 (0.56) CDK5CDK5R1DYRK1ACCNA2CDK2
SCHEMBL5352258 0.76 CDK5 (0.53) CDK5CDK5R1DYRK1ACCNA2CDK2
SCHEMBL5341973 0.73 CDK5 (0.58) CDK5CDK5R1DYRK1ACCNA2CDK2
SCHEMBL5352788 0.72 KDM4C (0.44) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5342790 0.72 KDM4C (0.44) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5352022 0.72 CDK5 (0.50) CDK5CDK5R1DYRK1ACCNA2CDK2
SCHEMBL5341105 0.69 CDK5 (0.81) CDK5CDK5R1DYRK1ACCNA2CDK2
SCHEMBL5344700 0.69 CDK5 (0.53) CDK5CDK5R1DYRK1ACCNA2CDK2
SCHEMBL5343136 0.69 CDK5 (0.66) CDK5CDK5R1DYRK1ACCNA2CDK2

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 7 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
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 359/4885DYRK1A 1751/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 64/4885CDK5R1 359/4885DYRK1A 1751/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 64/4885CDK5R1 359/4885DYRK1A 1751/4885

“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.