SCHEMBL5342113

SCHEMBL5342113

Cn1cccc1C(=O)C(Oc1cccc(NC(=O)Nc2csc(-c3ccncc3)n2)n1)C1CCNC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 8/20 0.46
CDK5R1 Q15078 8/20 0.46
IKBKE Q14164 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
DYRK1A Q13627 1/20 0.39
ROCK1 Q13464 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CCNA2 P20248 3/20 0.34
CDK2 P24941 3/20 0.34
CCNA1 P78396 3/20 0.34
POLQ O75417 1/20 0.33
CHEK1 O14757 1/20 0.33
HPGD P15428 2/20 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
SCHEMBL5338130 0.88 CDK5 (0.45) CDK5CDK5R1DYRK1AROCK1CCNA2
SCHEMBL5355037 0.86 CDK5 (0.41) CDK5CDK5R1DYRK1AROCK1ALDH1A1
SCHEMBL5345065 0.86 CDK5 (0.41) CDK5CDK5R1DYRK1AROCK1CCNA2
SCHEMBL5342649 0.85 CDK5 (0.52) CDK5CDK5R1DYRK1AROCK1CCNA2
SCHEMBL5354577 0.85 CDK5 (0.53) CDK5CDK5R1DYRK1AROCK1CCNA2
SCHEMBL5342249 0.84 CDK5 (0.43) CDK5CDK5R1DYRK1AROCK1CCNA2
SCHEMBL5345465 0.84 CDK5 (0.49) CDK5CDK5R1DYRK1AROCK1CCNA2
SCHEMBL5345480 0.83 CDK5 (0.45) CDK5CDK5R1DYRK1AROCK1CCNA2
SCHEMBL5339061 0.83 CDK5 (0.49) CDK5CDK5R1DYRK1AROCK1CCNA2
SCHEMBL5342095 0.83 CDK5 (0.43) 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 2 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-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 (1 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 359/4885IKBKE 75/4885

“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.