SCHEMBL12004307

SCHEMBL12004307

O=C(O)c1ccc2[nH]c(=O)c(N3CCCc4ccccc43)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.55
MGLL Q99685 1/20 0.43
AURKA O14965 2/20 0.42
KMT2A Q03164 5/20 0.41
STAT3 P40763 1/20 0.41
ALDH1A1 P00352 3/20 0.41
AKR1C3 P42330 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 2/20 0.41
HRH4 Q9H3N8 3/20 0.40
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
HTR3A P46098 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL12004392 0.89 MEN1 (0.46) CSNK2A1MGLLKMT2AALDH1A1HPGD
SCHEMBL9949572 0.77 HPGD (0.57) CSNK2A1KMT2ASTAT3ALDH1A1HPGD
SCHEMBL12061706 0.77 CSNK2A1 (0.47) CSNK2A1KMT2ASTAT3ALDH1A1AKR1C3
SCHEMBL12004365 0.77 TUBB4A (0.47)
SCHEMBL12004370 0.77 BRD4 (0.45) KMT2AHPGDMEN1HRH4HTT
SCHEMBL12004006 0.77 HDAC1 (0.40) KMT2AALDH1A1MEN1HRH4TSHR
SCHEMBL12004442 0.77 BRD4 (0.45) KMT2AALDH1A1HPGDMEN1HRH4
SCHEMBL12004229 0.77 HRH4 (0.48) HRH4RXRARXRBRXRG
SCHEMBL1458780 0.76 HPGD (0.55) CSNK2A1KMT2AALDH1A1HPGDMEN1
SCHEMBL12004423 0.75 CREBBP (0.40) KMT2AALDH1A1HRH4SMN1; SMN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2661431-B1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2018-07-11 EP disclosed
US-9073902-B2 Substituted quinoxaline carboxylic acid compounds for the inhibition of PASK BIOENERGENIX, LLC (US) 2015-07-07 US disclosed
US-9073902-B2 Substituted quinoxaline carboxylic acid compounds for the inhibition of PASK BIOENERGENIX, LLC (US) 2015-07-07 US disclosed
US-9073902-B2 Substituted quinoxaline carboxylic acid compounds for the inhibition of PASK BIOENERGENIX, LLC (US) 2015-07-07 US disclosed
US-20120220589-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-08-30 US disclosed
US-20120220589-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-08-30 US disclosed
US-20120220589-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-08-30 US disclosed
WO-2012094462-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-07-12 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 (1 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-20120220589-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 CSNK2A1 363/4885MGLL 3613/4885AURKA 1674/4885

“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.