SCHEMBL12100787

SCHEMBL12100787

COC(=O)c1ccc2nc(-c3ccc(F)c(F)c3)c(N3CCCC3C)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.41
HPGD P15428 5/20 0.39
NAMPT P43490 6/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ERN1 O75460 1/20 0.36
LCK P06239 1/20 0.36
JAK3 P52333 1/20 0.36
USP2 O75604 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36

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
SCHEMBL12100788 1.00 SYK (0.41) SYKHPGDNAMPTALDH1A1GAA
SCHEMBL12100398 0.91 NAMPT (0.48) NAMPTMAPT
SCHEMBL12100397 0.91 NAMPT (0.48) NAMPTMAPT
SCHEMBL12093874 0.91 NAMPT (0.48) NAMPTMAPT
SCHEMBL12100364 0.90 HPGD (0.44) SYKHPGDNAMPTALDH1A1GAA
SCHEMBL12100361 0.90 HPGD (0.44) SYKHPGDNAMPTALDH1A1GAA
SCHEMBL12100194 0.88 SYK (0.41) SYKHPGDNAMPTALDH1A1GAA
SCHEMBL12687311 0.88 SYK (0.43) SYKHPGDNAMPTALDH1A1GAA
SCHEMBL12100300 0.88 NAMPT (0.47) HPGDNAMPTALDH1A1GAAMAPT
SCHEMBL12100191 0.88 SYK (0.41) SYKHPGDNAMPTALDH1A1GAA

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 3 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
US-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-13 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 (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 SYK 3537/4885HPGD 824/4885NAMPT 544/4885

“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.