SCHEMBL1458694

SCHEMBL1458694

COc1ccc(-c2nc3ccc(C#N)cc3nc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.55
▸ KDM4E B2RXH2 4/20 0.55
▸ LMNA P02545 2/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ MAPK14 Q16539 1/20 0.51
▸ ADORA1 P30542 3/20 0.50
▸ ADORA2A P29274 1/20 0.46
▸ HPGDS O60760 1/20 0.46
▸ POLB P06746 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ NQO1 P15559 1/20 0.45
▸ TP53 P04637 2/20 0.44
▸ ACP1 P24666 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NPC1 O15118 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
SCHEMBL31331757 0.84 NSD2 (0.47) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL2867767 0.82 MAPK14 (0.69) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL12578192 0.80 ALDH1A1 (0.66) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL12076669 0.80 MAPK14 (0.48) ALDH1A1KDM4ELMNAMAPK14ADORA1
SCHEMBL12076875 0.79 CYP2A6 (0.53) ALDH1A1KDM4ELMNAL3MBTL1SMN1; SMN2
SCHEMBL12112511 0.79 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAL3MBTL1HPGD
SCHEMBL14492817 0.78 ALDH1A1 (0.64) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL12577911 0.78 ALDH1A1 (0.64) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL15666354 0.76 ALDH1A1 (0.60) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL12076733 0.76 KMT2A (0.62) ALDH1A1KDM4ELMNANPSR1TDP1

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 39 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-20140128392-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2014-05-08 — — US disclosed
US-20120225863-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-06 — — US disclosed
US-20120225863-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-06 — — US disclosed
US-20120225863-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-06 — — 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 (7 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 ALDH1A1 3714/4885KDM4E 3115/4885LMNA 1114/4885
US-11459307-B2 Heterocyclic compounds for the inhibition of PASK PASK, PDXK, PANK2 ALDH1A1 3714/4885KDM4E 3115/4885LMNA 1114/4885
US-20160229815-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 ALDH1A1 3714/4885KDM4E 3115/4885LMNA 1114/4885
US-20210198216-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 ALDH1A1 3714/4885KDM4E 3115/4885LMNA 1114/4885
US-20120225863-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 ALDH1A1 3714/4885KDM4E 3115/4885LMNA 1114/4885
US-20140128392-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 ALDH1A1 3255/4885KDM4E 3233/4885LMNA 1178/4885
US-10781185-B2 Heterocyclic compounds for the inhibition of PASK PASK, PDXK, PANK2 ALDH1A1 3714/4885KDM4E 3115/4885LMNA 1114/4885

“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