SCHEMBL5342297

SCHEMBL5342297

O=C(Nc1cccc(OCCC2CCN(C(=O)O)CC2)n1)Nc1csc(-c2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 10/20 0.47
CDK5R1 Q15078 10/20 0.47
CCNA2 P20248 3/20 0.47
CDK2 P24941 3/20 0.47
CCNA1 P78396 3/20 0.47
DYRK1A Q13627 1/20 0.39
BCHE P06276 3/20 0.39
ACHE P22303 3/20 0.39
GSK3B P49841 1/20 0.39
DRD2 P14416 2/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
TEAD1 P28347 1/20 0.38
TEAD3 Q99594 1/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
USP30 Q70CQ3 1/20 0.37
PIN1 Q13526 1/20 0.37
ACKR3 P25106 1/20 0.36
NTMT1 Q9BV86 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
SCHEMBL6632115 0.95 CDK5 (0.51) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL14558881 0.90 ACKR3 (0.48) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5337550 0.88 CDK5 (0.46) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL6629746 0.87 BTK (0.41) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5345512 0.85 CDK5 (0.61) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5344526 0.84 CDK5 (0.49) CDK5CDK5R1DYRK1AUSP30ACKR3
SCHEMBL5342417 0.83 CDK5 (0.51) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5343463 0.82 CDK5 (0.47) CDK5CDK5R1DYRK1AHRH1
SCHEMBL5345309 0.82 ACKR3 (0.49) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5346925 0.82 CDK5 (0.54) CDK5CDK5R1CCNA2CDK2CCNA1

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 359/4885CCNA2 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.