SCHEMBL2648698

SCHEMBL2648698

CC(=O)N1CCC(N(C(=O)Nc2ncc(SCC(=O)N3CCN(c4ncccn4)CC3)s2)C2CCC(C)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ITK Q08881 12/20 0.42
CDK2 P24941 1/20 0.37
BMX P51813 1/20 0.37
BTK Q06187 1/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDR P35968 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 1/20 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
SCHEMBL2648695 1.00 ALDH1A1 (0.44) ALDH1A1L3MBTL1ITKCDK2BMX
SCHEMBL2648153 0.90 ALDH1A1 (0.47) ALDH1A1L3MBTL1ITKCDK2BMX
SCHEMBL2648156 0.90 ALDH1A1 (0.47) ALDH1A1L3MBTL1ITKCDK2BMX
SCHEMBL2648801 0.89 ALDH1A1 (0.48) ALDH1A1L3MBTL1ITKCDK2MAPT
SCHEMBL2648804 0.89 ALDH1A1 (0.48) ALDH1A1L3MBTL1ITKCDK2MAPT
SCHEMBL999295 0.87 ITK (0.44) ALDH1A1L3MBTL1ITKCDK2MAPT
SCHEMBL999326 0.85 ALDH1A1 (0.51) ALDH1A1L3MBTL1ITKCDK2BMX
SCHEMBL1002441 0.85 ALDH1A1 (0.51) ALDH1A1L3MBTL1ITKCDK2BMX
SCHEMBL999288 0.83 MAPT (0.46) ALDH1A1L3MBTL1ITKCDK2BMX
SCHEMBL2648177 0.83 ALDH1A1 (0.51) ALDH1A1L3MBTL1ITKCDK2BMX

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 4 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-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 ALDH1A1 3782/4885L3MBTL1 3512/4885ITK 570/4885

“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.