SCHEMBL20150151

SCHEMBL20150151

CN(c1cc(-c2cnn(C)c2)ccc1[N+](=O)[O-])S(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.45
TYK2 P29597 11/20 0.42
LRRK2 Q5S007 1/20 0.39
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
MAPT P10636 1/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
DYRK3 O43781 1/20 0.37
WNT1 P04628 1/20 0.37
CLK1 P49759 1/20 0.37
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
GSK3B P49841 1/20 0.37
CDK5 Q00535 1/20 0.37
DYRK1A Q13627 1/20 0.37
CDK5R1 Q15078 1/20 0.37
DYRK2 Q92630 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DYRK4 Q9NR20 1/20 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
SCHEMBL20092236 0.80 TYK2 (0.45) TYK2PIM1PIM2CCNCCDK8
SCHEMBL22652108 0.77 ERN1 (0.52) ERN1PIM1PIM2MAPTACVR1
SCHEMBL20150168 0.75 TYK2 (0.41) TYK2MAPTCYP19A1
SCHEMBL26118528 0.75 ERN1 (0.39) ERN1
SCHEMBL16134054 0.74 MAPT (0.58) ERN1PIM1PIM2MAPTACVR1
SCHEMBL20630931 0.74 SIRT6 (0.50) ERN1LRRK2
SCHEMBL29677243 0.73 ERN1 (0.54) ERN1PIM1PIM2MAPTACVR1
SCHEMBL14863117 0.73 ERN1 (0.54) ERN1PIM1PIM2MAPTACVR1
SCHEMBL376601 0.73 MAPT (0.63) ERN1PIM1PIM2MAPTACVR1
SCHEMBL17200520 0.73 ERN1 (0.61) ERN1PIM1PIM2MAPTACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 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-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ERN1 845/4885TYK2 1/4885LRRK2 269/4885

“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.