SCHEMBL1339799

SCHEMBL1339799

O=C(Nc1ncc(Sc2ccccn2)s1)Nc1ccccc1C(=O)C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 7/20 0.43
CDK2 P24941 7/20 0.43
CDK5 Q00535 7/20 0.43
GRM4 Q14833 2/20 0.39
ALDH1A1 P00352 4/20 0.39
RAB9A P51151 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
FFAR2 O15552 1/20 0.36
PKM P14618 2/20 0.36
KMT2A Q03164 1/20 0.36
NTRK1 P04629 2/20 0.36
LMNA P02545 1/20 0.36
MAPK10 P53779 1/20 0.36
NPC1 O15118 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL1341998 0.93 CCNE1 (0.42) CCNE1CDK2CDK5GRM4ALDH1A1
SCHEMBL1341611 0.92 GRM4 (0.39) CCNE1CDK2CDK5GRM4ALDH1A1
SCHEMBL1341454 0.92 CCNE1 (0.42) CCNE1CDK2CDK5GRM4ALDH1A1
SCHEMBL1340679 0.90 CCNE1 (0.39) CCNE1CDK2CDK5GRM4ALDH1A1
SCHEMBL1341463 0.90 CCNE1 (0.43) CCNE1CDK2CDK5GRM4ALDH1A1
SCHEMBL1341513 0.90 LMNA (0.41) CCNE1CDK2CDK5GRM4ALDH1A1
SCHEMBL1341252 0.90 NTRK1 (0.38) CCNE1CDK2CDK5GRM4RAB9A
SCHEMBL1342332 0.90 GRM4 (0.43) CCNE1CDK2CDK5GRM4ALDH1A1
SCHEMBL1339377 0.90 AGTR1 (0.41) CCNE1CDK2CDK5GRM4ALDH1A1
SCHEMBL1340911 0.88 MAPT (0.38) CCNE1CDK2CDK5GRM4FFAR2

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.