SCHEMBL1704032

SCHEMBL1704032

CCN(CCCCCCCCNc1c(Nc2ccncc2)c(=O)c1=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 4/20 0.52
FLT4 P35916 3/20 0.49
FES P07332 1/20 0.49
FGFR1 P11362 1/20 0.49
KDR P35968 1/20 0.49
HDAC1 Q13547 6/20 0.43
ROCK1 Q13464 9/20 0.42
AURKB Q96GD4 9/20 0.42
GSK3A P49840 8/20 0.42
GSK3B P49841 8/20 0.42
CDC42BPA Q5VT25 8/20 0.42
CSNK1G3 Q9Y6M4 8/20 0.42
CHEK2 O96017 7/20 0.42
PRKACA P17612 7/20 0.42
RPS6KB1 P23443 7/20 0.42
RPS6KA3 P51812 7/20 0.42
PRKG1 Q13976 6/20 0.42
PKN2 Q16513 6/20 0.42
HIPK4 Q8NE63 6/20 0.42
CHEK1 O14757 5/20 0.42

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
SCHEMBL13046381 0.84 MAPKAPK2 (0.50) MAPKAPK2FLT4FESFGFR1KDR
SCHEMBL13045646 0.84 MAPKAPK2 (0.50) MAPKAPK2FLT4FESFGFR1KDR
SCHEMBL13045699 0.84 MAPKAPK2 (0.50) MAPKAPK2FLT4FESFGFR1KDR
SCHEMBL13045387 0.82 MAPKAPK2 (0.47) MAPKAPK2FLT4FESFGFR1KDR
SCHEMBL12077886 0.80 MAPKAPK2 (0.50) MAPKAPK2FLT4FESFGFR1KDR
SCHEMBL4023147 0.78 MAPKAPK2 (0.67) MAPKAPK2FLT4FESFGFR1KDR
SCHEMBL13045422 0.78 EPHX1 (0.50) FLT4HDAC1ROCK1ROCK2CYP3A4
SCHEMBL13047058 0.76 QPCT (0.48)
SCHEMBL20095480 0.75 GSK3A (0.55) MAPKAPK2FLT4FESFGFR1KDR
SCHEMBL13046384 0.75 PRKACA (0.42) MAPKAPK2FLT4FESFGFR1KDR

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 9 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
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
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
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 MAPKAPK2 2896/4885FLT4 3530/4885FES 1488/4885

“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.