SCHEMBL14826727

SCHEMBL14826727

Cc1c[nH]c(C2CCCOC2)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.36
MAPK8 P45983 3/20 0.34
MAPK9 P45984 3/20 0.34
MAPK10 P53779 3/20 0.34
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
TYK2 P29597 2/20 0.30

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
SCHEMBL15554979 0.83
SCHEMBL15724298 0.81 NPC1 (0.40)
SCHEMBL28527650 0.81 NPC1 (0.37)
SCHEMBL7906841 0.80 TDP2 (0.33) IRAK4JAK2JAK1
SCHEMBL728552 0.79 NPC1 (0.42) JAK2JAK1TYK2
SCHEMBL15724292 0.77
SCHEMBL1299331 0.70 HTR2C (0.41) TLR9TLR8TLR7
SCHEMBL470999 0.70 ADRA1A (0.45) IRAK4MAPK8MAPK9MAPK10JAK2
SCHEMBL28752822 0.67 PRKAB2 (0.34) IRAK4PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL10553055 0.67 SMN1; SMN2 (0.40) IRAK4PRKAB2PRKAG1PRKAA2PRKAA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130085134-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-04 US disclosed
US-20130085134-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-04 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-20130085134-A1 QUINOXALINE COMPOUND PDE9A, PDE2A, PDE3A IRAK4 3762/4885MAPK8 2458/4885MAPK9 135/4885

“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.