SCHEMBL1340520

SCHEMBL1340520

O=C(Nc1nc(C(=O)O)c(Sc2ccccn2)s1)Nc1ccncc1C(=O)C1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 5/20 0.37
CDK2 P24941 5/20 0.37
CDK5 Q00535 5/20 0.37
KDM4C Q9H3R0 1/20 0.37
ALDH1A1 P00352 3/20 0.36
RAB9A P51151 3/20 0.36
ADORA3 P0DMS8 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
PIP5K1C O60331 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
KMT2A Q03164 2/20 0.32
GCK P35557 2/20 0.31
MAPT P10636 2/20 0.31
GSK3B P49841 1/20 0.31
LMNA P02545 3/20 0.31
NPC1 O15118 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31

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
SCHEMBL1341296 0.94 KDM4C (0.41) CCNE1CDK2CDK5KDM4CALDH1A1
SCHEMBL1342558 0.92 ALDH1A1 (0.38) CCNE1CDK2CDK5ALDH1A1RAB9A
SCHEMBL2650008 0.89 KDM4C (0.38) CCNE1CDK2CDK5KDM4CALDH1A1
SCHEMBL1340243 0.88 GCK (0.38) CCNE1CDK2CDK5KDM4CALDH1A1
SCHEMBL1341472 0.87 AGTR1 (0.41) KDM4CALDH1A1RAB9AADORA3L3MBTL1
SCHEMBL1342469 0.87 MAPT (0.38) ALDH1A1RAB9AADORA3L3MBTL1KMT2A
SCHEMBL1342405 0.87 GRIK1 (0.39) KDM4CALDH1A1RAB9AADORA3L3MBTL1
SCHEMBL1341301 0.86 ALDH1A1 (0.38) CCNE1CDK2CDK5ALDH1A1RAB9A
SCHEMBL1341380 0.86 KDM4C (0.36) CCNE1CDK2CDK5KDM4CALDH1A1
SCHEMBL1342744 0.85 ALDH1A1 (0.37) CCNE1CDK2CDK5ALDH1A1RAB9A

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
EP-2471533-A1 Aryl carbonyl derivatives as therapeutic agents Novo Nordisk A/S (DK) 2012-07-04 EP disclosed
US-20110301158-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2011-12-08 US disclosed
US-8063081-B2 N-(2-Phenoxyphenyl)-N'-(thiazol-2-yl)urea; glucokinase inhibitor; antidiabetic, hypoglycemic agent; activators of glucokinase NOVO NORDISK A/S (DK) 2011-11-22 US disclosed
US-7897628-B2 {2-[3-(4-Methyl-2-[2-methypropoxy]phenyl)-ureido]-thiazol-4-yl}-acetic acid ethyl ester; glucokinase inhibitor; antidiabetic, hypoglycemic agent; activators of glucokinase NOVO NORDISK A/S (DK) 2011-03-01 US disclosed
US-7384967-B2 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2008-06-10 US disclosed
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2008-05-22 US disclosed
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2008-05-22 US disclosed
EP-1531815-A1 GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-05-25 EP disclosed
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-06-24 US disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 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-20110301158-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS GCK, GCKR, PDK2 CCNE1 4257/4885CDK2 1019/4885CDK5 1122/4885
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 CCNE1 4257/4885CDK2 1019/4885CDK5 1122/4885
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 CCNE1 4257/4885CDK2 1019/4885CDK5 1122/4885
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 CCNE1 4257/4885CDK2 1019/4885CDK5 1122/4885

“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.