SCHEMBL1000057

SCHEMBL1000057

CCOC(=O)CSc1cnc(NC(=O)N(C2CCCCC2)[C@H]2CCCN(C(C)=O)C2)s1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 6/20 0.55
CDK2 P24941 6/20 0.55
CDK1 P06493 5/20 0.55
CDK4 P11802 5/20 0.55
CCNE2 O96020 5/20 0.55
CCNB2 O95067 4/20 0.55
CCNB1 P14635 4/20 0.55
CCND1 P24385 4/20 0.55
CCNB3 Q8WWL7 4/20 0.55
MAPT P10636 2/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ITK Q08881 8/20 0.36

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
SCHEMBL1000137 0.93 CDK1 (0.57) CCNE1CDK2CDK1CDK4CCNE2
SCHEMBL998855 0.90 CCNE1 (0.64) CCNE1CDK2CDK1CDK4CCNE2
SCHEMBL999973 0.90 CCNE1 (0.64) CCNE1CDK2CDK1CDK4CCNE2
SCHEMBL999629 0.90 CCNE1 (0.64) CCNE1CDK2CDK1CDK4CCNE2
SCHEMBL1002547 0.89 MAPT (0.42) CCNE1CDK2CDK1CDK4CCNE2
SCHEMBL998678 0.85 CCNE1 (0.59) CCNE1CDK2CDK1CDK4CCNE2
SCHEMBL1001147 0.85 CCNE1 (0.59) CCNE1CDK2CDK1CDK4CCNE2
SCHEMBL999251 0.85 CCNE1 (0.59) CCNE1CDK2CDK1CDK4CCNE2
SCHEMBL998676 0.85 CCNE1 (0.59) CCNE1CDK2CDK1CDK4CCNE2
SCHEMBL1001149 0.85 CCNE1 (0.59) CCNE1CDK2CDK1CDK4CCNE2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE45183-E1 Heteroaryl-ureas and their use as glucokinase activators NOVO NORDISK A/S (DK) 2014-10-07 US disclosed
US-8263634-B2 Heteroaryl-ureas and their use as glucokinase activators NOVO NORDISK A/S (DK) 2012-09-11 US disclosed
EP-2444397-A1 Heteroaryl-ureas and their use as glucokinase activators Novo Nordisk A/S (DK) 2012-04-25 EP disclosed
US-20110060019-A1 HETEROARYL-UREAS AND THEIR USE AS GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2011-03-10 US disclosed
US-7872139-B2 e.g.1,1-Dicyclohexyl-3-[5-(pyridin-2-ylsulfanyl)-thiazol-2-yl]-urea; useful for the management, treatment, control, or adjunct treatment of diseases, where increasing glucokinase activity is beneficial, in particular, type 2 diabetes NOVO NORDISK A/S (DK) 2011-01-18 US disclosed
US-7851636-B2 {2-[3-Cyclohexyl-3-(trans-4-propoxy-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-acetic acid; useful for the management, treatment, control, or adjunct treatment of diseases, where increasing glucokinase activity is beneficial; antidiabetic agents NOVO NORDISK A/S (DK) 2010-12-14 US disclosed
US-20100204288-A1 {2-[3-Cyclohexyl-3-(trans-4-propoxy-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-acetic acid; useful for the management, treatment, control, or adjunct treatment of diseases, where increasing glucokinase activity is beneficial; antidiabetic agents NOVO NORDISK A/S (DK) 2010-08-12 US disclosed
US-7598391-B2 Heteroaryl-ureas and their use as glucokinase activators NOVO NORDISK A/S (DK) 2009-10-06 US disclosed
US-20090216013-A1 e.g.1,1-Dicyclohexyl-3-[5-(pyridin-2-ylsulfanyl)-thiazol-2-yl]-urea; useful for the management, treatment, control, or adjunct treatment of diseases, where increasing glucokinase activity is beneficial, in particular, type 2 diabetes NOVO NORDISK A/S (DK) 2009-08-27 US disclosed
US-20070054897-A1 1,1-Dicyclohexyl-3-thiazol-2-yl-urea, 3-(5-Chloro-thiazol-2-yl)-1,1-dicyclohexyl-urea, for example; useful for the management, treatment, control, or adjunct treatment of diseases, where increasing glucokinase activity is beneficial, in particular, type 2 diabetes NOVO NORDISK A/S (DK) 2007-03-08 US disclosed
EP-1723128-A1 HETEROARYL-UREAS AND THEIR USE AS GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2006-11-22 EP disclosed
WO-2005066145-A1 HETEROARYL-UREAS AND THEIR USE AS GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-07-21 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-20110060019-A1 HETEROARYL-UREAS AND THEIR USE AS GLUCOKINASE ACTIVATORS GCK, HK1, HK2 CCNE1 2830/4885CDK2 547/4885CDK1 1709/4885
US-20090216013-A1 e.g.1,1-Dicyclohexyl-3-[5-(pyridin-2-ylsulfanyl)-thiazol-2-yl]-urea; useful for the management, treatment, control, or adjunct treatment of diseases, where increasing glucokinase activity is beneficial, in particular, type 2 diabetes GCK, GCKR, HK1 CCNE1 1196/4885CDK2 242/4885CDK1 746/4885
US-20100204288-A1 {2-[3-Cyclohexyl-3-(trans-4-propoxy-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-acetic acid; useful for the management, treatment, control, or adjunct treatment of diseases, where increasing glucokinase activity is beneficial; antidiabetic agents GCK, GCKR, HK1 CCNE1 4422/4885CDK2 1775/4885CDK1 3090/4885
US-20070054897-A1 1,1-Dicyclohexyl-3-thiazol-2-yl-urea, 3-(5-Chloro-thiazol-2-yl)-1,1-dicyclohexyl-urea, for example; useful for the management, treatment, control, or adjunct treatment of diseases, where increasing glucokinase activity is beneficial, in particular, type 2 diabetes GCK, GCKR, HK1 CCNE1 3058/4885CDK2 319/4885CDK1 823/4885

“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.