Sugi Predict

Sugi Predict / Compounds / SCHEMBL5342108

SCHEMBL5342108

SCHEMBL5342108

Cn1cccc1C(=O)N1CCC(COc2cccc(NC(=O)Nc3csc(-c4ccncc4)n3)n2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 5/20 0.49
▸ CDK5R1 Q15078 5/20 0.49
▸ DYRK1A Q13627 1/20 0.40
▸ ROCK1 Q13464 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ CYP1A2 P05177 3/20 0.37
▸ CYP2C9 P11712 3/20 0.37
▸ CYP2C19 P33261 3/20 0.37
▸ IKBKE Q14164 1/20 0.36
▸ TBK1 Q9UHD2 1/20 0.36
▸ PIK3CD O00329 1/20 0.35
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL5338118 0.87 CDK5 (0.46) CDK5CDK5R1DYRK1AROCK1CCNA2
SCHEMBL5342417 0.87 CDK5 (0.51) CDK5CDK5R1DYRK1AROCK1TBK1
SCHEMBL5345440 0.87 CDK5 (0.59) CDK5CDK5R1DYRK1AROCK1IKBKE
SCHEMBL5345053 0.87 CDK5 (0.44) CDK5CDK5R1DYRK1AROCK1ALDH1A1
SCHEMBL5342637 0.86 CDK5 (0.53) CDK5CDK5R1DYRK1AROCK1MEN1
SCHEMBL5355027 0.86 CDK5 (0.43) CDK5CDK5R1DYRK1AROCK1ALDH1A1
SCHEMBL5345468 0.85 CDK5 (0.47) CDK5CDK5R1DYRK1AROCK1ALDH1A1
SCHEMBL5342245 0.85 CDK5 (0.46) CDK5CDK5R1DYRK1AROCK1ALDH1A1
SCHEMBL5354567 0.85 CDK5 (0.54) CDK5CDK5R1DYRK1AROCK1IKBKE
SCHEMBL5342684 0.84 CDK5 (0.62) CDK5CDK5R1DYRK1AROCK1IKBKE

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 7 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
US-6645990-B2 For prophylaxis and therapy of diseases, such as cell proliferation or apoptosis mediated diseases AMGEN INC. 2003-11-11 — — US 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 359/4885DYRK1A 1751/4885
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.