SCHEMBL12100191

SCHEMBL12100191

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.41
HPGD P15428 6/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 3/20 0.41
RPS6KB1 P23443 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 2/20 0.38
ALOX15 P16050 1/20 0.38
PABPC1 P11940 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
CFTR P13569 1/20 0.37
LCK P06239 1/20 0.36
JAK3 P52333 1/20 0.36
NAMPT P43490 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
SCHEMBL12100194 1.00 SYK (0.41) SYKHPGDKDM4EALDH1A1NPC1
SCHEMBL12100255 0.90 TP53 (0.39) SYKHPGDKDM4EALDH1A1NPC1
SCHEMBL12100250 0.90 TP53 (0.39) SYKHPGDKDM4EALDH1A1NPC1
SCHEMBL12100668 0.89 HPGD (0.45) SYKHPGDKDM4EALDH1A1NPC1
SCHEMBL12687311 0.89 SYK (0.43) SYKHPGDKDM4EALDH1A1NPC1
SCHEMBL12100788 0.88 SYK (0.41) SYKHPGDALDH1A1MAPTGAA
SCHEMBL12100787 0.88 SYK (0.41) SYKHPGDALDH1A1MAPTGAA
SCHEMBL12100397 0.88 NAMPT (0.48) MAPTNAMPT
SCHEMBL12093874 0.88 NAMPT (0.48) MAPTNAMPT
SCHEMBL12100398 0.88 NAMPT (0.48) MAPTNAMPT

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 824/4885KDM4E 3115/4885

“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.