SCHEMBL5354449

SCHEMBL5354449

COc1ccc(CN2CCCCC2COc2cccc(NC(=O)Nc3csc(-c4ccncc4)n3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 6/20 0.47
CDK5R1 Q15078 6/20 0.47
DYRK1A Q13627 1/20 0.45
ROCK1 Q13464 3/20 0.44
SPHK2 Q9NRA0 1/20 0.40
CHEK2 O96017 1/20 0.38
CPT1A P50416 1/20 0.38
ROCK2 O75116 1/20 0.38
ACHE P22303 1/20 0.38
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37
CCNA1 P78396 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC1 Q13547 1/20 0.36
MAPK1 P28482 1/20 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
SCHEMBL5348501 0.85 CDK5 (0.55) CDK5CDK5R1DYRK1AROCK1CPT1A
SCHEMBL14558502 0.83 CDK5 (0.56) CDK5CDK5R1DYRK1AROCK1
SCHEMBL5338445 0.83 CDK5 (0.56) CDK5CDK5R1DYRK1AROCK1
SCHEMBL14558880 0.83 CDK5 (0.56) CDK5CDK5R1DYRK1AROCK1
SCHEMBL6681307 0.80 ACKR3 (0.49) CDK5CDK5R1DYRK1ACPT1ACCNA2
SCHEMBL5345440 0.79 CDK5 (0.59) CDK5CDK5R1DYRK1AROCK1CPT1A
SCHEMBL5347201 0.78 CDK5 (0.49) CDK5CDK5R1DYRK1AROCK1CPT1A
SCHEMBL14569764 0.78 CDK5 (0.49) CDK5CDK5R1DYRK1AROCK1CPT1A
SCHEMBL5342684 0.78 CDK5 (0.62) CDK5CDK5R1DYRK1AROCK1ROCK2
SCHEMBL14558890 0.78 CDK5 (0.53) CDK5CDK5R1DYRK1AROCK1CPT1A

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 359/4885DYRK1A 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.