SCHEMBL1458743

SCHEMBL1458743

CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1cccs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 4/20 0.57
SRPK1 Q96SB4 1/20 0.57
ALDH1A1 P00352 8/20 0.49
HPGD P15428 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
RAB9A P51151 3/20 0.47
HTT P42858 2/20 0.47
RXFP1 Q9HBX9 2/20 0.47
PKM P14618 1/20 0.47
KDM4E B2RXH2 6/20 0.46
GAA P10253 4/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 6/20 0.45
LMNA P02545 3/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
CSNK2A1 P68400 1/20 0.42
NSD2 O96028 1/20 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
SCHEMBL1458688 0.83 ALDH1A1 (0.47) RPS6KB2SRPK1ALDH1A1HPGDSMN1; SMN2
SCHEMBL6238757 0.83 RPS6KB2 (0.79) RPS6KB2SRPK1ALDH1A1HPGDSMN1; SMN2
SCHEMBL1458783 0.82 ALDH1A1 (0.66) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL12100139 0.82 RAB9A (0.47) RPS6KB2ALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL12165026 0.81 RAB9A (0.44) RPS6KB2SRPK1ALDH1A1HPGDSMN1; SMN2
SCHEMBL1459666 0.81 ALDH1A1 (0.52) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL12089337 0.79 RPS6KB2 (0.42) RPS6KB2SRPK1ALDH1A1HPGDSMN1; SMN2
SCHEMBL12092804 0.78 RPS6KB2 (0.41) RPS6KB2SRPK1ALDH1A1HPGDSMN1; SMN2
SCHEMBL12090008 0.78 RPS6KB2 (0.41) RPS6KB2SRPK1ALDH1A1HPGDSMN1; SMN2
SCHEMBL12100436 0.78 RAB9A (0.48) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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
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 (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 RPS6KB2 35/4885SRPK1 372/4885ALDH1A1 3714/4885
US-11459307-B2 Heterocyclic compounds for the inhibition of PASK PASK, PDXK, PANK2 RPS6KB2 35/4885SRPK1 372/4885ALDH1A1 3714/4885
US-20210198216-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 RPS6KB2 35/4885SRPK1 372/4885ALDH1A1 3714/4885
US-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 RPS6KB2 35/4885SRPK1 372/4885ALDH1A1 3714/4885
US-10781185-B2 Heterocyclic compounds for the inhibition of PASK PASK, PDXK, PANK2 RPS6KB2 35/4885SRPK1 372/4885ALDH1A1 3714/4885

“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.