SCHEMBL2649802

SCHEMBL2649802

CC(C)(Sc1cnc(NC(=O)N(C2CCCCC2)C2CCCCC2)s1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 0.41
CCNE1 P24864 14/20 0.41
CCNE2 O96020 11/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
CCNB2 O95067 3/20 0.38
CDK1 P06493 3/20 0.38
CDK4 P11802 3/20 0.38
CCNB1 P14635 3/20 0.38
CCND1 P24385 3/20 0.38
CCNB3 Q8WWL7 3/20 0.38
CDK9 P50750 3/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
CDK5 Q00535 4/20 0.35
CIT O14578 1/20 0.35
CASK O14936 1/20 0.35
AURKA O14965 1/20 0.35
GAK O14976 1/20 0.35
DCLK1 O15075 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
SCHEMBL1000423 0.95 CDK2 (0.38) CDK2CCNE1CCNE2SMN1; SMN2CCNB2
SCHEMBL1000421 0.95 CDK2 (0.38) CDK2CCNE1CCNE2SMN1; SMN2CCNB2
SCHEMBL2648404 0.94 RAB9A (0.43) CDK2CCNE1CCNE2SMN1; SMN2CCNB2
SCHEMBL2648401 0.94 RAB9A (0.43) CDK2CCNE1CCNE2SMN1; SMN2CCNB2
SCHEMBL2649005 0.93 RAB9A (0.43) CDK2CCNE1CCNE2SMN1; SMN2CCNB2
SCHEMBL2649008 0.93 RAB9A (0.43) CDK2CCNE1CCNE2SMN1; SMN2CCNB2
SCHEMBL2647706 0.92 CCNE1 (0.36) CDK2CCNE1CCNE2SMN1; SMN2CCNB2
SCHEMBL2648978 0.92 CCNE1 (0.36) CDK2CCNE1CCNE2SMN1; SMN2CCNB2
SCHEMBL2647707 0.92 CCNE1 (0.36) CDK2CCNE1CCNE2SMN1; SMN2CCNB2
SCHEMBL2648983 0.92 CCNE1 (0.36) CDK2CCNE1CCNE2SMN1; SMN2CCNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582769-B2 Dicycloalkyl urea glucokinase activators NOVO NORDISK A/S (DK) 2009-09-01 US disclosed
US-7582769-B2 Dicycloalkyl urea glucokinase activators NOVO NORDISK A/S (DK) 2009-09-01 US disclosed
US-7582769-B2 Dicycloalkyl urea glucokinase activators NOVO NORDISK A/S (DK) 2009-09-01 US disclosed
US-20090118501-A1 Dicycloalkyl Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2009-05-07 US disclosed
US-20090118501-A1 Dicycloalkyl Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2009-05-07 US disclosed
US-20090118501-A1 Dicycloalkyl Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2009-05-07 US disclosed
EP-1904466-A1 DICYCLOALKYL UREA GLUCOKINASE ACTIVATORS Novo Nordisk A/S (DK) 2008-04-02 EP disclosed
WO-2007006760-A1 DICYCLOALKYL UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2007-01-18 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 (1 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-20090118501-A1 Dicycloalkyl Urea Glucokinase Activators GCK, GCKR, UCK2 CDK2 253/4885CCNE1 2454/4885CCNE2 2474/4885

“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.