SCHEMBL1000123

SCHEMBL1000123

CCOC(=O)CCSc1cnc(NC(=O)N(C2CCC(C)CC2)C2CCN(C(=O)N3CCOCC3)CC2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.41
CCNE1 P24864 4/20 0.41
CCNE2 O96020 3/20 0.41
CDK1 P06493 2/20 0.41
CDK4 P11802 2/20 0.41
CCNB2 O95067 1/20 0.41
CCNB1 P14635 1/20 0.41
CCND1 P24385 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ITK Q08881 2/20 0.36
GPR119 Q8TDV5 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 2/20 0.34
CDK7 P50613 2/20 0.33
CDK9 P50750 2/20 0.33

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
SCHEMBL1000267 0.92 CDK2 (0.50) CDK2CCNE1CCNE2CDK1CDK4
SCHEMBL1000266 0.92 CDK2 (0.50) CDK2CCNE1CCNE2CDK1CDK4
SCHEMBL1002140 0.90 ALDH1A1 (0.48) CDK2CCNE1CCNE2CDK1CDK4
SCHEMBL999964 0.90 ITK (0.38) CDK2CCNE1CCNE2CDK1CCNB1
SCHEMBL999967 0.90 ITK (0.38) CDK2CCNE1CCNE2CDK1CCNB1
SCHEMBL1002292 0.88 CDK2 (0.42) CDK2CCNE1CCNE2CDK1CDK4
SCHEMBL1002293 0.88 CDK2 (0.42) CDK2CCNE1CCNE2CDK1CDK4
SCHEMBL999761 0.87 CDK2 (0.48) CDK2CCNE1CCNE2CDK1CDK4
SCHEMBL999762 0.87 CDK2 (0.48) CDK2CCNE1CCNE2CDK1CDK4
SCHEMBL999652 0.86 CCNE1 (0.48) CDK2CCNE1CCNE2CDK1CDK4

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 CDK2 547/4885CCNE1 2830/4885CCNE2 2532/4885
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 CDK2 242/4885CCNE1 1196/4885CCNE2 1105/4885
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 CDK2 1775/4885CCNE1 4422/4885CCNE2 4066/4885
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 CDK2 319/4885CCNE1 3058/4885CCNE2 3082/4885

“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.