SCHEMBL1703629

SCHEMBL1703629

O=c1c(NCCCCCCCN2CCOCC2)c(Nc2ccncc2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
KDM4E B2RXH2 2/20 0.49
GAA P10253 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49
POLB P06746 1/20 0.49
RAD52 P43351 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
BCHE P06276 5/20 0.45
ACHE P22303 5/20 0.45
MAPKAPK2 P49137 1/20 0.45
EGFR P00533 1/20 0.45
CHEK1 O14757 3/20 0.44
CHEK2 O96017 3/20 0.44

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
SCHEMBL13046649 0.94 CYP2C19 (0.55) PLK1NPC1RAB9AKDM4EGAA
SCHEMBL12078190 0.88 POLB (0.46) PLK1NPC1RAB9AKDM4EGAA
SCHEMBL4028183 0.87 PLK1 (0.47) PLK1NPC1RAB9AKDM4EGAA
SCHEMBL13045396 0.86 NAMPT (0.46) PLK1NPC1RAB9AKDM4EGAA
SCHEMBL13046638 0.86 PLK1 (0.42) PLK1NPC1RAB9AKDM4EGAA
SCHEMBL13276780 0.84 PLK1 (0.41) PLK1NPC1RAB9AKDM4EGAA
SCHEMBL12092495 0.84 NAMPT (0.55) PLK1NPC1RAB9AKDM4EGAA
SCHEMBL13046547 0.84 NAMPT (0.48) PLK1NPC1RAB9AKDM4EGAA
SCHEMBL13046551 0.84 NAMPT (0.48) PLK1NPC1RAB9AKDM4EGAA
SCHEMBL1831108 0.83 MAPKAPK2 (0.41) PLK1LMNAMAPKAPK2CHEK1CHEK2

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 6 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 claimed
EP-2440527-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE Topo Target A/S (DK) 2012-04-18 EP claimed
WO-2010142735-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE TOPOTARGET A/S (DK) 2010-12-16 WO claimed
US-20120264755-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE TopoTarget (DE) 2012-10-18 US disclosed
EP-2440527-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE Topo Target A/S (DK) 2012-04-18 EP 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 PLK1 4081/4885NPC1 786/4885RAB9A 3185/4885

“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.