SCHEMBL5354906

SCHEMBL5354906

O=C(Nc1cccc(OC2CCN(Cc3ccccc3)C2)n1)Nc1csc(-c2ccncc2)n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 6/20 0.52
CDK5R1 Q15078 6/20 0.52
DRD2 P14416 4/20 0.46
DRD4 P21917 3/20 0.46
DRD3 P35462 3/20 0.46
DYRK1A Q13627 1/20 0.44
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
GSK3B P49841 1/20 0.42
ROCK1 Q13464 4/20 0.42
CCNA2 P20248 2/20 0.42
CDK2 P24941 2/20 0.42
CCNA1 P78396 2/20 0.42
MCHR1 Q99705 2/20 0.40
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
ACKR3 P25106 1/20 0.40
ROCK2 O75116 1/20 0.40
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL5341843 0.95 CDK5 (0.50) CDK5CDK5R1DRD2DRD4DRD3
SCHEMBL5348903 0.86 CDK5 (0.53) CDK5CDK5R1DYRK1AROCK1CCNA2
SCHEMBL5345589 0.85 CDK5 (0.66) CDK5CDK5R1DYRK1AGSK3BROCK1
SCHEMBL5348666 0.82 CDK5 (0.56) CDK5CDK5R1DYRK1AGSK3BCCNA2
SCHEMBL5352477 0.78 CDK5 (0.54) CDK5CDK5R1DYRK1A
SCHEMBL5345330 0.78 CDK5 (0.74) CDK5CDK5R1DRD2DRD4DRD3
SCHEMBL5345913 0.78 CDK5 (0.53) CDK5CDK5R1DYRK1AROCK1CCNA2
SCHEMBL5342625 0.78 CDK5 (0.53) CDK5CDK5R1DYRK1AROCK1CCNA2
SCHEMBL14558866 0.78 CDK5 (0.53) CDK5CDK5R1DYRK1AROCK1CCNA2
SCHEMBL14558890 0.78 CDK5 (0.53) 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 359/4885DRD2 4789/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 64/4885CDK5R1 359/4885DRD2 4789/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 64/4885CDK5R1 359/4885DRD2 4789/4885

“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.