SCHEMBL1458042

SCHEMBL1458042

COC(=O)c1ccc2nc(-c3ccccc3)c(N3CCN(c4cccc(Cl)c4)CC3)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ MAPT P10636 3/20 0.48
▸ GAA P10253 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ NAMPT P43490 9/20 0.47
▸ HRH4 Q9H3N8 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44

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
SCHEMBL1458812 0.92 NPC1 (0.53) KDM4EMAPTGAATSHRMAPK1
SCHEMBL1458666 0.91 TP53 (0.48) MAPTTSHRNAMPTHRH4HPGD
SCHEMBL1458654 0.89 ABCG2 (0.58) ABCG2KDM4EMAPTGAAMAPK1
SCHEMBL19772533 0.88 NPC1 (0.48) ABCG2KDM4EMAPTGAANAMPT
SCHEMBL1458684 0.87 HPGD (0.47) MAPTNAMPTHPGDALDH1A1
SCHEMBL10204091 0.86 NAMPT (0.48) KDM4EMAPTGAATSHRNAMPT
SCHEMBL1458072 0.86 HRH4 (0.64) KDM4EMAPTGAANAMPTHRH4
SCHEMBL1459048 0.85 SIRT1 (0.52) KDM4EMAPTTSHRNAMPTHRH4
SCHEMBL1458040 0.85 HPGD (0.58) KDM4EMAPTGAANAMPTHRH4
SCHEMBL1459027 0.85 HPGD (0.58) KDM4EMAPTGAANAMPTHRH4

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 ABCG2 3535/4885KDM4E 3115/4885MAPT 3629/4885
US-11459307-B2 Heterocyclic compounds for the inhibition of PASK PASK, PDXK, PANK2 ABCG2 3535/4885KDM4E 3115/4885MAPT 3629/4885
US-20160229815-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 ABCG2 3535/4885KDM4E 3115/4885MAPT 3629/4885
US-20210198216-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 ABCG2 3535/4885KDM4E 3115/4885MAPT 3629/4885
US-20150031679-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 ABCG2 3535/4885KDM4E 3115/4885MAPT 3629/4885
US-10781185-B2 Heterocyclic compounds for the inhibition of PASK PASK, PDXK, PANK2 ABCG2 3535/4885KDM4E 3115/4885MAPT 3629/4885

“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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