SCHEMBL5343166

SCHEMBL5343166

CN(C)CCc1ccc(NC(=O)Nc2csc(-c3ccncc3)n2)nc1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 5/20 0.51
CDK5R1 Q15078 5/20 0.51
TBK1 Q9UHD2 8/20 0.43
IKBKE Q14164 3/20 0.43
ROCK1 Q13464 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
HPGD P15428 1/20 0.37
DYRK1A Q13627 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR1A P08908 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37

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
SCHEMBL5348993 0.87 CDK5 (0.57) CDK5CDK5R1TBK1IKBKEROCK1
SCHEMBL5351920 0.83 CDK5 (0.59) CDK5CDK5R1TBK1IKBKEROCK1
SCHEMBL5354931 0.81 CDK5 (0.58) CDK5CDK5R1ROCK1CCNA2CDK2
SCHEMBL5352986 0.80 CDK5 (0.56) CDK5CDK5R1ROCK1IRAK4CCNA2
SCHEMBL5337782 0.76 CDK5 (0.54) CDK5CDK5R1TBK1IKBKEROCK1
SCHEMBL5341973 0.76 CDK5 (0.58) CDK5CDK5R1TBK1ROCK1CCNA2
SCHEMBL5341105 0.76 CDK5 (0.81) CDK5CDK5R1ROCK1CCNA2CDK2
SCHEMBL5352453 0.74 CDK5 (0.58) CDK5CDK5R1ROCK1CCNA2CDK2
SCHEMBL5343158 0.73 CDK5 (0.54) CDK5CDK5R1TBK1ROCK1CCNA2
Butane SCHEMBL5337773 0.73 CDK5 (0.60) CDK5CDK5R1ROCK1IRAK4CCNA2

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 12 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-1309589-B1 UREA COMPOUNDS AND METHODS OF USES AMGEN INC (US) 2006-03-15 EP disclosed
EP-1619184-A2 Urea compounds as kinase inhibitors Amgen, Inc. (US) 2006-01-25 EP 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
EP-1309589-A2 UREA COMPOUNDS AND METHODS OF USES Amgen Inc. (US) 2003-05-14 EP disclosed
US-20020193405-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2002-12-19 US disclosed
US-20020173507-A1 Urea compounds and methods of uses AMGEN INC. 2002-11-21 US disclosed
WO-2002014311-A2 UREA COMPOUNDS AND METHODS OF USES AMGEN INC. (US) 2002-02-21 WO 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 (4 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 359/4885TBK1 1054/4885
US-20020173507-A1 Urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 40/4885CDK5R1 244/4885TBK1 2679/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 64/4885CDK5R1 359/4885TBK1 1054/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 64/4885CDK5R1 359/4885TBK1 1054/4885

“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.