SCHEMBL5345502

SCHEMBL5345502

O=C(Nc1cccc(OCC2CCN(C(=O)C3CCCN(C(=O)O)C3)C2)n1)Nc1csc(-c2ccncc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 6/20 0.44
CDK5R1 Q15078 6/20 0.44
DYRK1A Q13627 1/20 0.42
ROCK1 Q13464 1/20 0.37
CCNA2 P20248 2/20 0.36
CDK2 P24941 2/20 0.36
CCNA1 P78396 2/20 0.36
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
NPY5R Q15761 1/20 0.35
LOXL2 Q9Y4K0 2/20 0.35
TP53BP1 Q12888 2/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
CPT1A P50416 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK10 P53779 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL5342417 0.93 CDK5 (0.51) CDK5CDK5R1DYRK1AROCK1CCNA2
SCHEMBL5339049 0.92 CDK5 (0.51) CDK5CDK5R1DYRK1AROCK1CCNA2
SCHEMBL14558929 0.90 CDK5 (0.43) CDK5CDK5R1DYRK1AROCK1
SCHEMBL5354567 0.87 CDK5 (0.54) CDK5CDK5R1DYRK1AROCK1CCNA2
SCHEMBL5348886 0.87 CDK5 (0.48) CDK5CDK5R1DYRK1AROCK1CCNA2
SCHEMBL5346692 0.86 CDK5 (0.45) CDK5CDK5R1DYRK1AROCK1CCNA2
SCHEMBL14558935 0.85 CDK5 (0.46) CDK5CDK5R1DYRK1AROCK1CCNA2
SCHEMBL5349269 0.85 CDK5 (0.46) CDK5CDK5R1DYRK1AROCK1CCNA2
SCHEMBL5342245 0.83 CDK5 (0.46) CDK5CDK5R1DYRK1AROCK1NPY5R
SCHEMBL5345440 0.83 CDK5 (0.59) 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 3 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-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 359/4885DYRK1A 1751/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 64/4885CDK5R1 359/4885DYRK1A 1751/4885

“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.