SCHEMBL1340218

SCHEMBL1340218

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 4/20 0.39
CCNE1 P24864 3/20 0.39
CDK2 P24941 3/20 0.39
KDM4C Q9H3R0 2/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
ABL1 P00519 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
IMPDH2 P12268 1/20 0.33
GPR6 P46095 1/20 0.33
PIP5K1C O60331 1/20 0.33
GRIK1 P39086 2/20 0.33
GAA P10253 1/20 0.33
CDK1 P06493 1/20 0.32

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
SCHEMBL1341680 0.93 KDM4C (0.40) CDK5CCNE1CDK2KDM4CROCK2
SCHEMBL1342360 0.88 CCNE1 (0.39) CDK5CCNE1CDK2KDM4CMEN1
SCHEMBL1340657 0.88 ALDH1A1 (0.40) CDK5MEN1KMT2APIP5K1C
SCHEMBL1341881 0.85 CCNE1 (0.39) CDK5CCNE1CDK2KDM4CCNR1
SCHEMBL1341099 0.85 GCK (0.39) CDK5CCNE1CDK2KDM4CROCK2
SCHEMBL1342120 0.85 SERPINE1 (0.41) MAOAMAOBGRIK1
SCHEMBL1340585 0.85 CLK1 (0.37) CDK5CCNE1CDK2KDM4CMEN1
SCHEMBL1341032 0.83 LMNA (0.42) ROCK1MEN1KMT2AMAOAMAOB
SCHEMBL1341115 0.83 KMT2A (0.41) MEN1KMT2AMAOAMAOBGAA
SCHEMBL2649953 0.83 CCNE1 (0.37) CDK5CCNE1CDK2KDM4CCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE45670-E1 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2015-09-15 US disclosed
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-7541373-B2 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2009-06-02 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
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2006-08-17 US disclosed
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-06-24 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 (5 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 CDK5 1122/4885CCNE1 4257/4885CDK2 1019/4885
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 CDK5 1122/4885CCNE1 4257/4885CDK2 1019/4885
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents GCK, PDK3, PDK4 CDK5 1506/4885CCNE1 4222/4885CDK2 1126/4885
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 CDK5 1122/4885CCNE1 4257/4885CDK2 1019/4885
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 CDK5 1122/4885CCNE1 4257/4885CDK2 1019/4885

“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.