SCHEMBL2656872

SCHEMBL2656872

CC1CCC(N(CCOCc2ccccc2)C(=O)Nc2ncc(SCC(=O)O)s2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 15/20 0.49
CDK2 P24941 15/20 0.49
CCNE2 O96020 12/20 0.49
CDK4 P11802 5/20 0.49
CCND1 P24385 5/20 0.49
CCNB2 O95067 3/20 0.49
CDK1 P06493 3/20 0.49
CCNB1 P14635 3/20 0.49
CCNB3 Q8WWL7 3/20 0.49
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
CDK5 Q00535 3/20 0.39
GRM4 Q14833 1/20 0.38
ITK Q08881 1/20 0.38
GCK P35557 1/20 0.36
CDK5R1 Q15078 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL1240621 1.00 CCNE1 (0.49) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL1240330 0.96 CCNE1 (0.48) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL2657625 0.94 CDK2 (0.41) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL2657629 0.94 CDK2 (0.41) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL2656294 0.93 CDK2 (0.47) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL2656289 0.93 CDK2 (0.47) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL1240445 0.93 CDK2 (0.41) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL2668628 0.93 CDK2 (0.41) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL2668606 0.92 CDK2 (0.40) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL1241588 0.92 CDK2 (0.40) CCNE1CDK2CCNE2CDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362049-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2013-01-29 US disclosed
US-8318778-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2012-11-27 US disclosed
US-20120165375-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2012-06-28 US disclosed
US-20100041711-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2010-02-18 US disclosed
EP-2099777-A1 UREA GLUCOKINASE ACTIVATORS Novo Nordisk A/S (DK) 2009-09-16 EP disclosed
WO-2008084044-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2008-07-17 WO 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 (2 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-20100041711-A1 Urea Glucokinase Activators GCK, GCKR, HK2 CCNE1 3375/4885CDK2 381/4885CCNE2 2292/4885
US-20120165375-A1 Urea Glucokinase Activators GCK, GCKR, HK2 CCNE1 3375/4885CDK2 381/4885CCNE2 2292/4885

“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.