SCHEMBL5339209

SCHEMBL5339209

CN1CCC(c2cccc(NC(=O)Nc3csc(-c4ccccc4)n3)n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 9/20 0.59
CDK5R1 Q15078 9/20 0.59
CCNA2 P20248 4/20 0.52
CDK2 P24941 4/20 0.52
CCNA1 P78396 4/20 0.52
DYRK1A Q13627 1/20 0.43
MKNK1 Q9BUB5 1/20 0.41
ACKR3 P25106 1/20 0.41
SCN9A Q15858 1/20 0.40
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
CHRNA7 P36544 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
NPY5R Q15761 1/20 0.39
HTR1D P28221 2/20 0.39
HTR1B P28222 2/20 0.39
HTR1F P30939 2/20 0.39
HTR1A P08908 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
SCHEMBL14558874 0.93 CDK5 (0.69) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5348666 0.83 CDK5 (0.56) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5346925 0.81 CDK5 (0.54) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL14558870 0.77 CDK5 (0.54) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5345589 0.77 CDK5 (0.66) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5338702 0.75 CDK5 (0.51) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5342684 0.74 CDK5 (0.62) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5692115 0.74 CDK5 (1.00) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5343217 0.74 ACKR3 (0.52) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5343196 0.74 ACKR3 (0.52) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040044044-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-03-04 US claimed
US-20040039029-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-02-26 US claimed
US-6645990-B2 For prophylaxis and therapy of diseases, such as cell proliferation or apoptosis mediated diseases AMGEN INC. 2003-11-11 US claimed
US-20020193405-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2002-12-19 US claimed
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 359/4885CCNA2 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.