SCHEMBL2647822

SCHEMBL2647822

O=C(Nc1ncc(-n2ccnc2)s1)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CD38 P28907 3/20 0.39
SLC6A9 P48067 1/20 0.38
CHEK1 O14757 1/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.34
CYP3A4 P08684 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CDK5 Q00535 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 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
SCHEMBL999793 0.78 SMN1; SMN2 (0.43) SMN1; SMN2NPC1GAARAB9A
SCHEMBL999594 0.77 FFAR2 (0.48) MAPTSMN1; SMN2MAPK1HTTNPC1
SCHEMBL1002776 0.77 SMN1; SMN2 (0.42) MAPTSMN1; SMN2MAPK1TSHRHTT
SCHEMBL12337986 0.77 SMN1; SMN2 (0.42) MAPTSMN1; SMN2MAPK1TSHRHTT
SCHEMBL999458 0.76 SMN1; SMN2 (0.43) SMN1; SMN2NPC1GAARAB9A
SCHEMBL999739 0.76 FFAR2 (0.46) SMN1; SMN2CCNE1CDK2CDK5NPC1
SCHEMBL2606337 0.75 SMN1; SMN2 (0.43) MAPTSMN1; SMN2MAPK1TSHRCCNE1
SCHEMBL1000186 0.75 FPR2 (0.44) SMN1; SMN2CCNE1CDK2CDK5NPC1
SCHEMBL1002294 0.75 SMN1; SMN2 (0.63) MAPTSMN1; SMN2NPC1GAARAB9A
SCHEMBL2859759 0.75 SLC6A9 (0.37) CD38SLC6A9MAPTMAPK1TSHR

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 CD38 3495/4885SLC6A9 1357/4885CHEK1 979/4885

“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.