SCHEMBL2143269

SCHEMBL2143269

Nc1ncnc2c1c(=O)ccn2C1OC(CO)C(O)C1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 12/20 0.62
DOT1L Q8TEK3 4/20 0.62
NPC1 O15118 1/20 0.62
GALR3 O60755 1/20 0.62
S1PR4 O95977 1/20 0.62
ALDH1A1 P00352 1/20 0.62
MAPT P10636 1/20 0.62
S1PR1 P21453 1/20 0.62
HTT P42858 1/20 0.62
RAB9A P51151 1/20 0.62
PAX8 Q06710 1/20 0.62
DPP4 P27487 1/20 0.60
MEN1 O00255 1/20 0.60
SLC28A1 O00337 1/20 0.60
MAP3K7 O43318 1/20 0.60
SLC28A2 O43868 1/20 0.60
GAPDH P04406 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
MAPK1 P28482 1/20 0.60
ADORA2A P29274 1/20 0.60

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
SCHEMBL2143266 1.00 ADK (0.62) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL3885324 1.00 ADK (0.62) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL6570558 0.86 SLC29A1 (0.52) ADKDOT1LSLC28A1SLC28A2SLC29A1
Tubercidin SCHEMBL1739818 0.83 ADK (0.82) ADKDOT1LDPP4MEN1SLC28A1
Tubercidin SCHEMBL23982115 0.83 ADK (0.82) ADKDOT1LDPP4MEN1SLC28A1
Tubercidin SCHEMBL23982350 0.83 ADK (0.82) ADKDOT1LDPP4MEN1SLC28A1
Tubercidin SCHEMBL6063615 0.83 ADK (0.82) ADKDOT1LDPP4MEN1SLC28A1
Tubercidin SCHEMBL20938187 0.83 ADK (0.82) ADKDOT1LDPP4MEN1SLC28A1
Tubercidin SCHEMBL20418952 0.83 ADK (0.82) ADKDOT1LDPP4MEN1SLC28A1
Tubercidin SCHEMBL23351430 0.83 ADK (0.82) ADKDOT1LDPP4MEN1SLC28A1

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-8648116-B2 Derivatives of N-(arylamino) sulfonamides including polymorphs as inhibitors of MEK as well as compositions, methods of use and methods for preparing the same ARDEA BIOSCIENCES, INC. (US) 2014-02-11 US disclosed
US-20110060049-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES INCLUDING POLYMORPHS AS INHIBITORS OF MEK AS WELL AS COMPOSITIONS, METHODS OF USE AND METHODS FOR PREPARING THE SAME ARDEA BIOSCIENCES, INC. (US) 2011-03-10 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-20110060049-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES INCLUDING POLYMORPHS AS INHIBITORS OF MEK AS WELL AS COMPOSITIONS, METHODS OF USE AND METHODS FOR PREPARING THE SAME NRAS, BRAF, MAP3K2 ADK 1466/4885DOT1L 2921/4885NPC1 2896/4885

“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.