SCHEMBL5344159

SCHEMBL5344159

Cc1[nH]c2ccccc2c1CC(=O)N1CCC(COc2cccc(NC(=O)Nc3csc(-c4ccncc4)n3)n2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 7/20 0.42
CDK5R1 Q15078 7/20 0.42
SYK P43405 1/20 0.39
DYRK1A Q13627 1/20 0.37
ROCK1 Q13464 1/20 0.37
HDAC1 Q13547 2/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
EIF2AK3 Q9NZJ5 2/20 0.34
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 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
SCHEMBL5338911 0.87 TACR1 (0.49) CDK5CDK5R1DYRK1AROCK1HDAC1
SCHEMBL5342364 0.82 CDK5 (0.43) CDK5CDK5R1DYRK1AROCK1ALDH1A1
SCHEMBL5342085 0.82 AKR1C3 (0.49) CDK5CDK5R1DYRK1AROCK1MEN1
SCHEMBL5342417 0.82 CDK5 (0.51) CDK5CDK5R1DYRK1AROCK1CCNA2
SCHEMBL5345440 0.81 CDK5 (0.59) CDK5CDK5R1DYRK1AROCK1CCNA2
SCHEMBL5342637 0.80 CDK5 (0.53) CDK5CDK5R1DYRK1AROCK1MEN1
SCHEMBL5348206 0.80 CDK5 (0.49) CDK5CDK5R1DYRK1AROCK1
SCHEMBL5348886 0.79 CDK5 (0.48) CDK5CDK5R1DYRK1AROCK1HSD17B10
SCHEMBL5354567 0.79 CDK5 (0.54) CDK5CDK5R1DYRK1AROCK1BCHE
SCHEMBL5345585 0.79 CDK5 (0.51) CDK5CDK5R1DYRK1AROCK1CCNA2

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 359/4885SYK 2341/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 64/4885CDK5R1 359/4885SYK 2341/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 64/4885CDK5R1 359/4885SYK 2341/4885

“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.