SCHEMBL1000526

SCHEMBL1000526

CCOC(=O)CSc1cnc(NC(=O)N(C2CCN(C(=O)N(C)C)CC2)[C@H]2CC[C@H](C)CC2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.52
CCNE1 P24864 5/20 0.52
CDK1 P06493 4/20 0.52
CDK4 P11802 4/20 0.52
CCNE2 O96020 4/20 0.52
CCNB2 O95067 3/20 0.52
CCNB1 P14635 3/20 0.52
CCND1 P24385 3/20 0.52
CCNB3 Q8WWL7 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ITK Q08881 4/20 0.39
CDK7 P50613 2/20 0.36
CDK9 P50750 2/20 0.36
MAPT P10636 3/20 0.36
GPR119 Q8TDV5 1/20 0.36
MAPK1 P28482 1/20 0.35
CCNT1 O60563 1/20 0.35
CCNH P51946 1/20 0.35
MNAT1 P51948 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
SCHEMBL1000527 1.00 CDK2 (0.52) CDK2CCNE1CDK1CDK4CCNE2
SCHEMBL1002293 0.92 CDK2 (0.42) CDK2CCNE1CDK1CDK4CCNE2
SCHEMBL1002292 0.92 CDK2 (0.42) CDK2CCNE1CDK1CDK4CCNE2
SCHEMBL999044 0.89 ITK (0.42) CDK2CCNE1CDK1CDK4CCNE2
SCHEMBL999042 0.89 ITK (0.42) CDK2CCNE1CDK1CDK4CCNE2
SCHEMBL1000011 0.89 CDK2 (0.61) CDK2CCNE1CDK1CDK4CCNE2
SCHEMBL1000010 0.89 CDK2 (0.61) CDK2CCNE1CDK1CDK4CCNE2
SCHEMBL1000266 0.88 CDK2 (0.50) CDK2CCNE1CDK1CDK4CCNE2
SCHEMBL1000267 0.88 CDK2 (0.50) CDK2CCNE1CDK1CDK4CCNE2
SCHEMBL998678 0.87 CCNE1 (0.59) CDK2CCNE1CDK1CDK4CCNE2

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-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

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 2830/4885CDK1 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 CDK2 242/4885CCNE1 1196/4885CDK1 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 CDK2 1775/4885CCNE1 4422/4885CDK1 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 CDK2 319/4885CCNE1 3058/4885CDK1 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.