SCHEMBL1342332

SCHEMBL1342332

O=C(Nc1ncc(Sc2ccccn2)s1)Nc1ccc(Cl)cc1C(=O)C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 6/20 0.43
GRIK1 P39086 1/20 0.37
CCNE1 P24864 6/20 0.37
CDK2 P24941 6/20 0.37
CDK5 Q00535 6/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
CNR1 P21554 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NTRK1 P04629 1/20 0.34

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
SCHEMBL1339799 0.90 CCNE1 (0.43) GRM4CCNE1CDK2CDK5RAB9A
SCHEMBL1339377 0.90 AGTR1 (0.41) GRM4CCNE1CDK2CDK5RAB9A
SCHEMBL1341252 0.90 NTRK1 (0.38) GRM4CCNE1CDK2CDK5RAB9A
SCHEMBL1341885 0.87 GCK (0.42) RAB9ANPC1KMT2APKMALDH1A1
SCHEMBL1341991 0.87 ITK (0.42) CCNE1CDK2CDK5NTRK1
SCHEMBL1340911 0.87 MAPT (0.38) GRM4CCNE1CDK2CDK5NTRK1
SCHEMBL1341998 0.87 CCNE1 (0.42) GRM4CCNE1CDK2CDK5RAB9A
SCHEMBL1341571 0.87 GRM4 (0.39) GRM4CCNE1CDK2CDK5RAB9A
SCHEMBL1341454 0.86 CCNE1 (0.42) GRM4CCNE1CDK2CDK5RAB9A
SCHEMBL1342814 0.85 FFAR2 (0.47) GRM4CCNE1CDK2CDK5RAB9A

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 GRM4 2551/4885GRIK1 1313/4885CCNE1 4257/4885
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 GRM4 2551/4885GRIK1 1313/4885CCNE1 4257/4885
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents GCK, PDK3, PDK4 GRM4 3123/4885GRIK1 1898/4885CCNE1 4222/4885
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 GRM4 2551/4885GRIK1 1313/4885CCNE1 4257/4885
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 GRM4 2551/4885GRIK1 1313/4885CCNE1 4257/4885

“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.