SCHEMBL1345877

SCHEMBL1345877

C=CCSc1cnc(NC(=O)Nc2ccc(C)cc2C(=O)C2CCCC2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 8/20 0.40
TXK P42681 7/20 0.40
ITK Q08881 4/20 0.40
BTK Q06187 7/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CDK2 P24941 5/20 0.38
CCNE2 O96020 3/20 0.38
CCNE1 P24864 3/20 0.38
CCNB2 O95067 2/20 0.38
CDK1 P06493 2/20 0.38
CDK4 P11802 2/20 0.38
CCNB1 P14635 2/20 0.38
CCND1 P24385 2/20 0.38
CCNB3 Q8WWL7 2/20 0.38
CDK9 P50750 4/20 0.36
CDK7 P50613 3/20 0.36
CCNT1 O60563 2/20 0.36
CCNH P51946 2/20 0.36
MNAT1 P51948 2/20 0.36
CCNA1 P78396 2/20 0.36

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
SCHEMBL1340880 0.88 CDK2 (0.39) JAK3TXKITKSMN1; SMN2CDK2
SCHEMBL1340972 0.88 CDK2 (0.39) JAK3TXKITKSMN1; SMN2CDK2
SCHEMBL1342199 0.88 CDK2 (0.39) JAK3TXKITKSMN1; SMN2CDK2
SCHEMBL1341081 0.87 SMN1; SMN2 (0.42) JAK3TXKITKBTKSMN1; SMN2
SCHEMBL1339558 0.87 CDK2 (0.44) JAK3TXKITKBTKSMN1; SMN2
SCHEMBL1341455 0.87 CDK2 (0.40) JAK3TXKITKSMN1; SMN2CDK2
SCHEMBL10315610 0.87 CDK2 (0.38) JAK3TXKITKSMN1; SMN2CDK2
SCHEMBL1340921 0.86 PLK1 (0.41) SMN1; SMN2CDK2CCNE2CCNE1CCNB2
SCHEMBL14217623 0.86 CDK2 (0.37) JAK3TXKITKSMN1; SMN2CDK2
SCHEMBL1339556 0.86 CDK2 (0.37) JAK3TXKITKSMN1; SMN2CDK2

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 12 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-1531815-B1 GLUCOKINASE ACTIVATORS NOVO NORDISK AS (DK) 2014-09-24 EP 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 JAK3 3403/4885TXK 234/4885ITK 1548/4885
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 JAK3 3403/4885TXK 234/4885ITK 1548/4885
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents GCK, PDK3, PDK4 JAK3 3276/4885TXK 435/4885ITK 1749/4885
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 JAK3 3403/4885TXK 234/4885ITK 1548/4885
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 JAK3 3403/4885TXK 234/4885ITK 1548/4885

“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.