SCHEMBL1459068

SCHEMBL1459068

COC(=O)c1ccc2nc(-c3ccccc3)c(N3CCOCC3)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.62
HSD17B10 Q99714 1/20 0.62
NAMPT P43490 11/20 0.58
HPGD P15428 4/20 0.49
ALDH1A1 P00352 2/20 0.49
PIK3CA P42336 1/20 0.49
PIK3CB P42338 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPK1 P28482 1/20 0.49
MAPT P10636 1/20 0.48

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
SCHEMBL17184398 0.91 NAMPT (0.63) CASP1HSD17B10NAMPTHPGD
SCHEMBL1458812 0.90 NPC1 (0.53) CASP1HSD17B10NAMPTHPGDALDH1A1
SCHEMBL1458680 0.89 HPGD (0.58) NAMPTHPGDALDH1A1KDM4EMAPT
SCHEMBL1459027 0.89 HPGD (0.58) NAMPTHPGDALDH1A1KDM4EMAPT
SCHEMBL1458040 0.89 HPGD (0.58) NAMPTHPGDALDH1A1KDM4EMAPT
SCHEMBL1458072 0.88 HRH4 (0.64) HSD17B10NAMPTHPGDALDH1A1KDM4E
SCHEMBL1458253 0.88 CASP1 (0.70) CASP1HSD17B10NAMPTHPGDALDH1A1
SCHEMBL1458720 0.87 HPGD (0.49) NAMPTHPGDALDH1A1KDM4EMAPT
SCHEMBL1458830 0.87 NAMPT (0.52) NAMPTHPGDALDH1A1KDM4EMAPT
SCHEMBL10204091 0.87 NAMPT (0.48) NAMPTHPGDALDH1A1KDM4EMAPT

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11459307-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX LLC (US) 2022-10-04 US disclosed
US-20210198216-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX LLC (US) 2021-07-01 US disclosed
US-20210198216-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX LLC (US) 2021-07-01 US disclosed
US-10781185-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX LLC (US) 2020-09-22 US disclosed
US-10781185-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX LLC (US) 2020-09-22 US disclosed
US-9868708-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX LLC (US) 2018-01-16 US disclosed
US-9868708-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX LLC (US) 2018-01-16 US disclosed
US-9868708-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX LLC (US) 2018-01-16 US disclosed
US-20160229815-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX LLC 2016-08-11 US disclosed
US-20160229815-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX LLC 2016-08-11 US disclosed
US-20150031679-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX, LLC 2015-01-29 US disclosed
US-8916560-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX, LLC (US) 2014-12-23 US disclosed
US-8916560-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX, LLC (US) 2014-12-23 US disclosed
US-8916560-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX, LLC (US) 2014-12-23 US disclosed
EP-2473504-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK Bioenergenix (US) 2012-07-11 EP disclosed
US-20120165318-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-06-28 US disclosed
US-20120165318-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-06-28 US disclosed
US-20120165318-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-06-28 US disclosed
WO-2011028947-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2011-03-10 WO disclosed
WO-2011028947-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2011-03-10 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 (6 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-20120165318-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 CASP1 3195/4885HSD17B10 2554/4885NAMPT 544/4885
US-11459307-B2 Heterocyclic compounds for the inhibition of PASK PASK, PDXK, PANK2 CASP1 3195/4885HSD17B10 2554/4885NAMPT 544/4885
US-20160229815-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 CASP1 3195/4885HSD17B10 2554/4885NAMPT 544/4885
US-20210198216-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 CASP1 3195/4885HSD17B10 2554/4885NAMPT 544/4885
US-20150031679-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 CASP1 3195/4885HSD17B10 2554/4885NAMPT 544/4885
US-10781185-B2 Heterocyclic compounds for the inhibition of PASK PASK, PDXK, PANK2 CASP1 3195/4885HSD17B10 2554/4885NAMPT 544/4885

“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.