SCHEMBL9950083

SCHEMBL9950083

COC(=O)c1ccc2c(c1)nc(Cl)c(=O)n2Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.61
KDM4E B2RXH2 3/20 0.56
EHMT2 Q96KQ7 1/20 0.54
DRD2 P14416 9/20 0.51
TBXA2R P21731 8/20 0.51
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
PPARG P37231 1/20 0.48
PTGER4 P35408 1/20 0.48

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
SCHEMBL12004096 0.89 KDM4E (0.52) CFTRKDM4EDRD2TBXA2RMAPT
SCHEMBL12825173 0.84 CFTR (0.56) CFTRKDM4EEHMT2DRD2TBXA2R
SCHEMBL17195873 0.80 CFTR (0.59) CFTRKDM4EEHMT2DRD2TBXA2R
SCHEMBL2118602 0.80 ALDH1A1 (0.55) CFTRKDM4EDRD2TBXA2RTDP1
SCHEMBL1458855 0.79 CFTR (0.51) CFTRKDM4EEHMT2DRD2TBXA2R
SCHEMBL1458854 0.79 CFTR (0.51) CFTRKDM4EEHMT2DRD2TBXA2R
SCHEMBL8036225 0.78 PPARG (0.65) KDM4EDRD2TBXA2RALDH1A1MAPT
SCHEMBL8025911 0.77 KDM4E (0.70) KDM4EDRD2TBXA2RALDH1A1PPARG
SCHEMBL19032817 0.76 CFTR (1.00) CFTRDRD2TBXA2RMAPT
SCHEMBL2100541 0.76 KDM4E (0.55) KDM4EDRD2TBXA2RMAPTPPARG

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
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-8912188-B2 Substituted quinoxaline carboxylic acids for the inhibition of PASK BIOENERGENIX, LLC (US) 2014-12-16 US disclosed
US-8912188-B2 Substituted quinoxaline carboxylic acids for the inhibition of PASK BIOENERGENIX, LLC (US) 2014-12-16 US disclosed
US-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-13 US disclosed
US-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-13 US disclosed
WO-2012119046-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-07 WO disclosed
CN-102656163-A Heterocyclic compounds for the inhibition of PASK BIOENERGENIX 2012-09-05 CN 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

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 CFTR 3452/4885KDM4E 3115/4885EHMT2 3752/4885
US-11459307-B2 Heterocyclic compounds for the inhibition of PASK PASK, PDXK, PANK2 CFTR 3452/4885KDM4E 3115/4885EHMT2 3752/4885
US-20160229815-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 CFTR 3452/4885KDM4E 3115/4885EHMT2 3752/4885
US-20210198216-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 CFTR 3452/4885KDM4E 3115/4885EHMT2 3752/4885
US-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 CFTR 3452/4885KDM4E 3115/4885EHMT2 3752/4885
US-10781185-B2 Heterocyclic compounds for the inhibition of PASK PASK, PDXK, PANK2 CFTR 3452/4885KDM4E 3115/4885EHMT2 3752/4885

“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.