SCHEMBL12100668

SCHEMBL12100668

CC1CCCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccc(N)c(N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.45
GAA P10253 4/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPT P10636 3/20 0.45
CDH1 P12830 1/20 0.42
APC P25054 1/20 0.42
CTNNB1 P35222 1/20 0.42
TCF7L2 Q9NQB0 1/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 1/20 0.39
POLB P06746 2/20 0.38
NR4A1 P22736 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
SYK P43405 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37

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
SCHEMBL12687301 0.92 HPGD (0.41) HPGDGAAALDH1A1KDM4EMAPT
SCHEMBL12100191 0.89 SYK (0.41) HPGDGAAALDH1A1KDM4EMAPT
SCHEMBL12100194 0.89 SYK (0.41) HPGDGAAALDH1A1KDM4EMAPT
SCHEMBL12100794 0.89 LMNA (0.44) HPGDGAAALDH1A1KDM4EMAPT
SCHEMBL12100793 0.89 LMNA (0.44) HPGDGAAALDH1A1KDM4EMAPT
SCHEMBL12687309 0.88 HPGD (0.45) HPGDGAAALDH1A1KDM4EMAPT
SCHEMBL9949938 0.88 HPGD (0.57) HPGDGAAALDH1A1KDM4EMAPT
SCHEMBL1458744 0.88 HPGD (0.57) HPGDGAAALDH1A1KDM4EMAPT
SCHEMBL9949881 0.88 HPGD (0.57) HPGDGAAALDH1A1KDM4EMAPT
SCHEMBL12100364 0.87 HPGD (0.44) HPGDGAAALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2681207-B1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2016-12-28 EP disclosed
US-8912188-B2 Substituted quinoxaline carboxylic acids for the inhibition of PASK BIOENERGENIX, LLC (US) 2014-12-16 US disclosed
EP-2681207-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK Bioenergenix (US) 2014-01-08 EP 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

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-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 HPGD 824/4885GAA 306/4885ALDH1A1 3714/4885

“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.