SCHEMBL5343463

SCHEMBL5343463

CCCCOC(=O)N1CCC(CCOc2cccc(NC(=O)Nc3csc(-c4ccncc4)n3)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 4/20 0.47
CDK5R1 Q15078 4/20 0.47
P2RY12 Q9H244 5/20 0.42
DYRK1A Q13627 1/20 0.41
ROCK1 Q13464 2/20 0.40
FFAR4 Q5NUL3 1/20 0.38
NOS2 P35228 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
GRIN2B Q13224 5/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP3A4 P08684 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
SCHEMBL5344526 0.89 CDK5 (0.49) CDK5CDK5R1DYRK1AROCK1
SCHEMBL6632115 0.88 CDK5 (0.51) CDK5CDK5R1DYRK1AROCK1
SCHEMBL5341586 0.87 CDK5 (0.47) CDK5CDK5R1P2RY12DYRK1AROCK1
SCHEMBL5345512 0.87 CDK5 (0.61) CDK5CDK5R1DYRK1AROCK1
SCHEMBL14558881 0.83 ACKR3 (0.48) CDK5CDK5R1
SCHEMBL5342297 0.82 CDK5 (0.47) CDK5CDK5R1DYRK1AHRH1
SCHEMBL5338010 0.82 CDK5 (0.53) CDK5CDK5R1DYRK1AROCK1CYP3A4
SCHEMBL5341555 0.82 CDK5 (0.50) CDK5CDK5R1DYRK1AROCK1
SCHEMBL6630678 0.81 CDK5 (0.53) CDK5CDK5R1DYRK1AROCK1
SCHEMBL5348206 0.79 CDK5 (0.49) CDK5CDK5R1DYRK1AROCK1CYP2C9

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 8 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
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
US-20020173507-A1 Urea compounds and methods of uses AMGEN INC. 2002-11-21 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 (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 359/4885P2RY12 3137/4885
US-20020173507-A1 Urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 40/4885CDK5R1 244/4885P2RY12 3483/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 64/4885CDK5R1 359/4885P2RY12 3137/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 64/4885CDK5R1 359/4885P2RY12 3137/4885

“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.