SCHEMBL1703123

SCHEMBL1703123

N#CN=C(NCCCCCCCN1CCOCC1)Nc1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.46
IKBKB O14920 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
GAA P10253 2/20 0.44
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL13277186 1.00 NAMPT (0.46) NAMPTIKBKBCYP3A4CYP2D6CYP2C19
SCHEMBL13277930 0.95 CYP3A4 (0.50) NAMPTIKBKBCYP3A4CYP2D6CYP2C19
SCHEMBL13277929 0.95 CYP3A4 (0.50) NAMPTIKBKBCYP3A4CYP2D6CYP2C19
SCHEMBL13277163 0.87 NAMPT (0.49) NAMPTIKBKBGAARECQLSMN1; SMN2
SCHEMBL13277164 0.87 NAMPT (0.49) NAMPTIKBKBGAARECQLSMN1; SMN2
SCHEMBL13276949 0.87 NAMPT (0.46) NAMPTIKBKBGAARECQLSMN1; SMN2
SCHEMBL1703437 0.87 NAMPT (0.46) NAMPTIKBKBGAARECQLSMN1; SMN2
SCHEMBL13277086 0.86 NAMPT (0.55) NAMPTIKBKBCYP3A4CYP2D6CYP2C19
SCHEMBL13277344 0.86 ALDH1A1 (0.48) NAMPTGAASMN1; SMN2MAPTPKM
SCHEMBL1703058 0.86 NAMPT (0.55) NAMPTIKBKBCYP3A4CYP2D6CYP2C19

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 NAMPT 1/4885IKBKB 2938/4885CYP3A4 1156/4885

“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.