SCHEMBL2647072

SCHEMBL2647072

Nc1ncc(-c2ncc[nH]2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.40
NISCH Q9Y2I1 2/20 0.38
MTOR P42345 1/20 0.38
ADK P55263 1/20 0.38
CSNK2A1 P68400 1/20 0.38
NOS1 P29475 1/20 0.38
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
LIMK1 P53667 1/20 0.36
ALDH1A1 P00352 5/20 0.35
NPC1 O15118 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CSNK1A1 P48729 1/20 0.33
TYRO3 Q06418 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
SCHEMBL27850713 0.78 NISCH (0.39) NISCHMTORADKPDE4APDE4B
SCHEMBL21242477 0.73 NOS1 (0.55) BACE1CSNK2A1NOS1LIMK1ALDH1A1
SCHEMBL7052235 0.68 F2RL1 (0.39) NISCHMTORADKPDE4APDE4B
SCHEMBL81650 0.68 NISCH (0.59) NISCHMTORADKPDE4APDE4B
SCHEMBL26118059 0.67 NISCH (0.39) NISCHMTORADKALDH1A1SMN1; SMN2
SCHEMBL26118054 0.67 NISCH (0.39) NISCHMTORADKALDH1A1SMN1; SMN2
SCHEMBL749709 0.67 CSNK2A1 (0.46) BACE1MTORCSNK2A1NOS1LIMK1
SCHEMBL23815521 0.67 NISCH (0.41) NISCHMTORADKPDE4APDE4B
SCHEMBL9987302 0.67 PDE4A (0.41) NISCHMTORADKPDE4APDE4B
SCHEMBL27586678 0.67 NISCH (0.50) NISCHMTORADKPDE4APDE4B

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 5 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
CN-101258137-A Dicycloalkyl urea glucokinase activators NOVO NORDISK AS (DK) 2008-09-03 CN 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 BACE1 3898/4885NISCH 1066/4885MTOR 615/4885

“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.