SCHEMBL13516680

SCHEMBL13516680

O=c1cc(-c2ccccc2)[nH]c2c(-c3cccc4ccccc34)c(Cc3ccccc3)nn12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ARF6 P62330 10/20 0.43
PSD A5PKW4 1/20 0.41
LDHA P00338 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALPL P05186 1/20 0.36
GAA P10253 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL19084676 0.90 PSD (0.55) ARF6PSDGAAADORA2AADORA1
SCHEMBL13516568 0.85 ARF6 (0.50) ARF6PSDKDM4EGAAADORA2A
SCHEMBL13738553 0.83 ARF6 (0.45) ARF6PSDKDM4EGAA
SCHEMBL1614570 0.83 ADORA2A (0.40) PSDLDHAKDM4EALPLGAA
SCHEMBL1279423 0.80 KCNQ3 (0.43) ARF6PSDLDHAKDM4EALPL
SCHEMBL13516748 0.80 ARF6 (0.60) ARF6PSD
SCHEMBL14212971 0.80 ARF6 (0.48) ARF6KDM4EADORA2AADORA1
SCHEMBL14235193 0.77 ARF6 (0.48) ARF6PSD
SCHEMBL13516182 0.77 KDM4E (0.48) ARF6PSDKDM4E
SCHEMBL14899468 0.76 ARF6 (0.56) ARF6PSDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 US disclosed
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 US disclosed
WO-2012149157-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 WO disclosed
WO-2012149157-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 WO disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 US disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 US 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 (2 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-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 ARF6 1414/4885PSD 3158/4885LDHA 2908/4885
US-10953012-B2 Heterocyclic compounds for the inhibition of pask PASK, PDXK, PANK2 ARF6 1414/4885PSD 3158/4885LDHA 2908/4885

“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.