SCHEMBL5345817

SCHEMBL5345817

CCOCc1ccc(NC(=O)OC(C)(C)C)nc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 10/20 0.41
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
ABCB11 O95342 1/20 0.38
ESR1 P03372 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
TBXA2R P21731 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
CYP2C19 P33261 1/20 0.38
SHMT2 P34897 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL20278458 0.76 MAPKAPK2 (0.40) MAPKAPK2KCNQ3KCNQ2ABCB11ESR1
SCHEMBL19174334 0.76 MAPKAPK2 (0.46) MAPKAPK2MAP4K4SCN9AGSK3BDYRK1A
SCHEMBL7002099 0.75 MAPKAPK2 (0.40) MAPKAPK2SCN9AHDAC1CYP17A1GSK3B
SCHEMBL30387136 0.75 MAPKAPK2 (0.40) MAPKAPK2SCN9AHDAC1CYP17A1GSK3B
SCHEMBL6999990 0.74 MAPKAPK2 (0.38) MAPKAPK2MEN1KMT2ANPC1GAA
SCHEMBL3888187 0.74 LCK (0.39) MAPKAPK2CYP2C9SCN9AHDAC1CYP17A1
SCHEMBL6059352 0.72 LCK (0.40) MAPKAPK2CYP2C9MEN1KMT2ANPC1
SCHEMBL24819762 0.72 LCK (0.41) MAPKAPK2MAP4K4SCN9AHDAC1CYP17A1
SCHEMBL30050964 0.72 LCK (0.41) MAPKAPK2MAP4K4SCN9AHDAC1CYP17A1
SCHEMBL6059214 0.71 LCK (0.39) MAPKAPK2CYP2C9SCN9ACYP17A1GSK3B

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 10 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
EP-1309589-A2 UREA COMPOUNDS AND METHODS OF USES Amgen Inc. (US) 2003-05-14 EP 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
WO-2002014311-A2 UREA COMPOUNDS AND METHODS OF USES AMGEN INC. (US) 2002-02-21 WO 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 MAPKAPK2 2337/4885KCNQ3 4715/4885KCNQ2 4688/4885
US-20020173507-A1 Urea compounds and methods of uses SLC14A1, UMPS, BAX MAPKAPK2 2588/4885KCNQ3 4713/4885KCNQ2 4722/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX MAPKAPK2 2337/4885KCNQ3 4715/4885KCNQ2 4688/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX MAPKAPK2 2337/4885KCNQ3 4715/4885KCNQ2 4688/4885

“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.