SCHEMBL13045653

SCHEMBL13045653

O=c1c(NCCCCCCN(CCCN2CCOCC2)S(=O)(=O)C2CCCCC2)c(Nc2ccncc2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 9/20 0.49
PLK1 P53350 2/20 0.39
AURKA O14965 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
NPC1 O15118 2/20 0.37
LMNA P02545 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
DAPK3 O43293 1/20 0.37
ROCK2 O75116 1/20 0.37
CHEK2 O96017 1/20 0.37
PIM1 P11309 1/20 0.37
ROCK1 Q13464 1/20 0.37
CDC42BPA Q5VT25 1/20 0.37
AURKB Q96GD4 1/20 0.37
PLK3 Q9H4B4 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL13046558 1.00 NAMPT (0.49) NAMPTPLK1AURKACDK1CCNB1
SCHEMBL13047040 1.00 NAMPT (0.49) NAMPTPLK1AURKACDK1CCNB1
SCHEMBL13045397 0.99 NAMPT (0.48) NAMPTPLK1AURKACDK1CCNB1
SCHEMBL13045388 0.99 NAMPT (0.48) NAMPTPLK1AURKACDK1CCNB1
SCHEMBL13045748 0.99 NAMPT (0.48) NAMPTPLK1AURKACDK1CCNB1
SCHEMBL13046551 0.86 NAMPT (0.48) NAMPTPLK1NPC1LMNARAB9A
SCHEMBL13046547 0.86 NAMPT (0.48) NAMPTPLK1NPC1LMNARAB9A
SCHEMBL13045396 0.86 NAMPT (0.46) NAMPTPLK1NPC1LMNARAB9A
SCHEMBL13045854 0.85 CHEK2 (0.41) NAMPTPLK1DAPK3ROCK2CHEK2
SCHEMBL13045853 0.85 CHEK2 (0.41) NAMPTPLK1DAPK3ROCK2CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264755-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE TopoTarget (DE) 2012-10-18 US disclosed
US-20120264755-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE TopoTarget (DE) 2012-10-18 US disclosed
WO-2010142735-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE TOPOTARGET A/S (DK) 2010-12-16 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-20120264755-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE NAMPT, NAPRT, NNT NAMPT 1/4885PLK1 4081/4885AURKA 3710/4885

“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.