SCHEMBL1458901

SCHEMBL1458901

O=C(O)c1ccc2nc(-c3ccccc3)c(N3CCC(c4ccc(C(F)(F)F)cc4)CC3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 6/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ P2RY14 Q15391 4/20 0.47
▸ DRD1 P21728 2/20 0.47
▸ DRD5 P21918 2/20 0.47
▸ ADRA2A P08913 1/20 0.47
▸ ADRA1B P35368 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ HRH4 Q9H3N8 1/20 0.47
▸ NAMPT P43490 9/20 0.46
▸ ADRB3 P13945 1/20 0.45
▸ ADRA2C P18825 1/20 0.45
▸ HTR1D P28221 1/20 0.45
▸ HTR1E P28566 1/20 0.45
▸ TSPO P30536 1/20 0.45

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
SCHEMBL1458154 0.93 NAMPT (0.56) P2RY14DRD1DRD5ADRA2AADRA1B
SCHEMBL1458052 0.91 HPGD (0.60) HPGDKDM4ENPC1ALDH1A1GAA
SCHEMBL1458704 0.90 HPGD (0.46) HPGDNAMPTMCHR1
SCHEMBL10204110 0.87 HPGD (0.56) HPGDKDM4ENPC1ALDH1A1GAA
SCHEMBL1458019 0.87 CDH1 (0.56) HPGDKDM4ENPC1ALDH1A1GAA
SCHEMBL1458721 0.86 HPGD (0.54) HPGDKDM4ENPC1ALDH1A1GAA
SCHEMBL1458532 0.85 ALDH1A1 (0.50) HPGDKDM4ENPC1ALDH1A1GAA
SCHEMBL1458521 0.83 HPGD (0.52) HPGDKDM4ENPC1ALDH1A1GAA
SCHEMBL1457980 0.82 RAB9A (0.50) HPGDKDM4ENPC1ALDH1A1GAA
SCHEMBL1458751 0.82 NAMPT (0.55) NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102656163-B Suppress the heterogeneous ring compound of PASK BIOENERGENIX (US) 2016-01-13 — — CN claimed
EP-2681207-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK Bioenergenix (US) 2014-01-08 — — EP claimed
US-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-13 — — US claimed
WO-2012119046-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-07 — — WO claimed
CN-102656163-A Heterocyclic compounds for the inhibition of PASK BIOENERGENIX 2012-09-05 — — CN claimed
EP-2473504-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK Bioenergenix (US) 2012-07-11 — — EP claimed
WO-2011028947-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2011-03-10 — — WO claimed
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-8916560-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX, LLC (US) 2014-12-23 — — US disclosed
CN-102656163-A Heterocyclic compounds for the inhibition of PASK BIOENERGENIX 2012-09-05 — — CN 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
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 (5 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 HPGD 824/4885KDM4E 3115/4885NPC1 3570/4885
US-11459307-B2 Heterocyclic compounds for the inhibition of PASK PASK, PDXK, PANK2 HPGD 824/4885KDM4E 3115/4885NPC1 3570/4885
US-20210198216-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 HPGD 824/4885KDM4E 3115/4885NPC1 3570/4885
US-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 HPGD 824/4885KDM4E 3115/4885NPC1 3570/4885
US-10781185-B2 Heterocyclic compounds for the inhibition of PASK PASK, PDXK, PANK2 HPGD 824/4885KDM4E 3115/4885NPC1 3570/4885

“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.

Send feedback