SCHEMBL12100013

SCHEMBL12100013

COC(=O)c1ccc2nc(-c3cc4cc(F)ccc4o3)c(N3CCCC3)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 14/20 0.42
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
TNF P01375 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
NR2F2 P24468 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
MCL1 Q07820 1/20 0.39
KLF5 Q13887 1/20 0.39
NOD1 Q9Y239 1/20 0.39
PLAU P00749 1/20 0.38
F11 P03951 1/20 0.38
KLKB1 P03952 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL12076655 0.92 NAMPT (0.46) NAMPTSMN1; SMN2KDM4EHPGDMEN1
SCHEMBL12100558 0.89 POLB (0.43) NAMPTSMN1; SMN2KDM4EHPGDMEN1
SCHEMBL12100437 0.88 NAMPT (0.44) NAMPTSMN1; SMN2KDM4EHPGDMEN1
SCHEMBL12164246 0.88 PLAU (0.50) NAMPTSMN1; SMN2KDM4EHPGDMEN1
SCHEMBL12100816 0.87 MAPT (0.38) NAMPTSMN1; SMN2KDM4EHPGDMEN1
SCHEMBL12100817 0.87 MAPT (0.38) NAMPTSMN1; SMN2KDM4EHPGDMEN1
SCHEMBL12061622 0.85 CREBBP (0.40) NAMPTSMN1; SMN2KDM4EHPGDMEN1
SCHEMBL12004493 0.83 MEN1 (0.39) SMN1; SMN2KDM4EHPGDMEN1TNF
SCHEMBL12100748 0.83 CTNNB1 (0.40) NAMPTMEN1KMT2ANPC1RAB9A
SCHEMBL12099824 0.82 NAMPT (0.58) NAMPTMAPT

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-8912188-B2 Substituted quinoxaline carboxylic acids for the inhibition of PASK BIOENERGENIX, LLC (US) 2014-12-16 US disclosed
US-8912188-B2 Substituted quinoxaline carboxylic acids for the inhibition of PASK BIOENERGENIX, LLC (US) 2014-12-16 US disclosed
US-8912188-B2 Substituted quinoxaline carboxylic acids for the inhibition of PASK BIOENERGENIX, LLC (US) 2014-12-16 US disclosed
EP-2681207-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK Bioenergenix (US) 2014-01-08 EP disclosed
US-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-13 US disclosed
US-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-13 US disclosed
US-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-13 US disclosed
WO-2012119046-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-07 WO disclosed
WO-2012119046-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-07 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-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 NAMPT 544/4885SMN1; SMN2 3582/4885KDM4E 3115/4885

“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.