SCHEMBL1458019

SCHEMBL1458019

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDH1 P12830 1/20 0.56
▸ APC P25054 1/20 0.56
▸ CTNNB1 P35222 1/20 0.56
▸ TCF7L2 Q9NQB0 1/20 0.56
▸ HPGD P15428 6/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ NAMPT P43490 11/20 0.46
▸ MAPT P10636 1/20 0.43
▸ FABP3 P05413 1/20 0.43
▸ FABP4 P15090 1/20 0.43
▸ FABP5 Q01469 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
SCHEMBL1458052 0.94 HPGD (0.60) CDH1APCCTNNB1TCF7L2HPGD
SCHEMBL1458510 0.91 CDH1 (0.56) CDH1APCCTNNB1TCF7L2NAMPT
SCHEMBL1458521 0.91 HPGD (0.52) CDH1APCCTNNB1TCF7L2HPGD
SCHEMBL10204110 0.90 HPGD (0.56) HPGDALDH1A1KDM4ENPC1GAA
SCHEMBL1458991 0.90 HPGD (0.48) CDH1APCCTNNB1TCF7L2HPGD
SCHEMBL1458901 0.87 HPGD (0.50) HPGDALDH1A1KDM4ENPC1GAA
SCHEMBL1458532 0.87 ALDH1A1 (0.50) HPGDALDH1A1KDM4ENPC1GAA
SCHEMBL1458662 0.85 CDH1 (0.60) CDH1APCCTNNB1TCF7L2HPGD
SCHEMBL1457980 0.85 RAB9A (0.50) HPGDALDH1A1KDM4ENPC1GAA
SCHEMBL1458693 0.84 NAMPT (0.52) CDH1APCCTNNB1TCF7L2HPGD

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 37 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
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
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 CDH1 3455/4885APC 518/4885CTNNB1 3515/4885
US-11459307-B2 Heterocyclic compounds for the inhibition of PASK PASK, PDXK, PANK2 CDH1 3455/4885APC 518/4885CTNNB1 3515/4885
US-20210198216-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 CDH1 3455/4885APC 518/4885CTNNB1 3515/4885
US-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 CDH1 3455/4885APC 518/4885CTNNB1 3515/4885
US-10781185-B2 Heterocyclic compounds for the inhibition of PASK PASK, PDXK, PANK2 CDH1 3455/4885APC 518/4885CTNNB1 3515/4885

“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.

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