SCHEMBL5338010

SCHEMBL5338010

O=C(Nc1cccc(OCCC2CCNCC2)n1)Nc1csc(-c2ccncc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 6/20 0.53
CDK5R1 Q15078 6/20 0.53
ROCK1 Q13464 4/20 0.46
DYRK1A Q13627 1/20 0.43
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
CCNA1 P78396 2/20 0.39
CHEK1 O14757 1/20 0.39
TBK1 Q9UHD2 2/20 0.38
CIT O14578 1/20 0.36
RPS6KA5 O75582 1/20 0.36
CYP3A4 P08684 1/20 0.36
FLT3 P36888 1/20 0.36
GSK3B P49841 1/20 0.36
JAK3 P52333 1/20 0.36
GPR142 Q7Z601 1/20 0.35
NPY5R Q15761 1/20 0.35
NOX1 Q9Y5S8 1/20 0.35

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
SCHEMBL5337550 0.94 CDK5 (0.46) CDK5CDK5R1ROCK1DYRK1APIM2
SCHEMBL5346073 0.91 CDK5 (0.54) CDK5CDK5R1ROCK1DYRK1APIM3
SCHEMBL5342477 0.89 CDK5 (0.44) CDK5CDK5R1ROCK1CCNA2CDK2
SCHEMBL5345512 0.88 CDK5 (0.61) CDK5CDK5R1ROCK1DYRK1ACCNA2
SCHEMBL5348280 0.88 CDK5 (0.53) CDK5CDK5R1ROCK1DYRK1APIM3
SCHEMBL6632115 0.87 CDK5 (0.51) CDK5CDK5R1ROCK1DYRK1ACCNA2
SCHEMBL5348213 0.86 PIM2 (0.39) CDK5CDK5R1ROCK1PIM3PIM2
SCHEMBL5348983 0.85 CDK5 (0.40) CDK5CDK5R1ROCK1PIM2CCNA2
SCHEMBL5349163 0.84 BTK (0.39) CDK5CDK5R1ROCK1DYRK1APIM2
SCHEMBL5348294 0.84 CDK5 (0.47) CDK5CDK5R1PIM3PIM2CCNA2

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 12 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
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.