SCHEMBL5345561

SCHEMBL5345561

CC(C)N(Cc1cccc(NC(=O)Nc2csc(Br)n2)n1)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 8/20 0.37
CDK5R1 Q15078 8/20 0.37
CCNA2 P20248 4/20 0.37
CDK2 P24941 4/20 0.37
CCNA1 P78396 4/20 0.37
RAB9A P51151 2/20 0.34
AAK1 Q2M2I8 1/20 0.34
MEN1 O00255 1/20 0.33
GBA1 P04062 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGER2 P43116 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
NR3C2 P08235 1/20 0.32
GRM5 P41594 1/20 0.32
NTRK1 P04629 1/20 0.32

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
SCHEMBL5378719 0.89 CDK5 (0.41) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5341862 0.87 CDK5 (0.46) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5348210 0.86 CDK5 (0.50) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5352973 0.82 CDK5 (0.34) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5428116 0.79 SSTR4 (0.34) AAK1MEN1KMT2APTGER2
SCHEMBL5347914 0.77 CDK5 (0.46) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL14558417 0.77 CDK5 (0.46) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5342742 0.76 RAB9A (0.40) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL7061478 0.75 CDK5 (0.44) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5344552 0.75 CDK5 (0.44) 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 5 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-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.