SCHEMBL1340845

SCHEMBL1340845

O=C(Nc1nc(CSc2ccccc2)c(Br)s1)Nc1cnccc1C(=O)C1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
CDK5 Q00535 2/20 0.36
CNR1 P21554 1/20 0.35
KDM4C Q9H3R0 7/20 0.35
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
MAPT P10636 4/20 0.34
HTT P42858 2/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4D Q6B0I6 3/20 0.33
LMNA P02545 2/20 0.33
KDM6B O15054 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
IMPDH2 P12268 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GSK3B P49841 1/20 0.32
ABL1 P00519 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
SCHEMBL1340891 0.94 CCNE1 (0.36) CCNE1CDK2CDK5CNR1KMT2A
SCHEMBL1343631 0.90 KMT2A (0.36) KMT2AMEN1MAPTHTTRAB9A
SCHEMBL1342129 0.90 MAPT (0.37) CCNE1CDK2CDK5CNR1KDM4C
SCHEMBL1342312 0.88 CCNE1 (0.37) CCNE1CDK2CDK5CNR1KDM4C
SCHEMBL1342934 0.87 CCNE1 (0.35) CCNE1CDK2CDK5CNR1KDM4C
SCHEMBL1341647 0.86 KDM4C (0.38) CCNE1CDK2CDK5CNR1KDM4C
SCHEMBL1342106 0.85 RAB9A (0.39) KMT2AMEN1MAPTHTTRAB9A
SCHEMBL1341154 0.85 MAPT (0.37) KMT2AMEN1MAPTHTTRAB9A
SCHEMBL1342772 0.85 MAPT (0.38) CNR1KMT2AMEN1MAPTHTT
SCHEMBL1341538 0.85 KDM4C (0.40) CCNE1CDK2CDK5CNR1KDM4C

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 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-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents GCK, PDK3, PDK4 CCNE1 4222/4885CDK2 1126/4885CDK5 1506/4885
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.