SCHEMBL17469803

SCHEMBL17469803

N=C(N)c1ccc(/N=N/Nc2ccccc2C#Cc2ccn[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 1/20 0.45
FURIN P09958 1/20 0.45
AOC1 P19801 1/20 0.45
SAT1 P21673 1/20 0.45
ACE2 Q9BYF1 1/20 0.45
NQO2 P16083 3/20 0.36
BCL2 P10415 2/20 0.31
PLA2G1B P04054 1/20 0.31
APP P05067 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
TNNI3 P19429 1/20 0.31
CYP2C19 P33261 1/20 0.31
SNCA P37840 1/20 0.31
RAD52 P43351 1/20 0.31
TNNT2 P45379 1/20 0.31
TNNC1 P63316 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31

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
SCHEMBL17469669 0.83 TMPRSS2 (0.52) TMPRSS2FURINAOC1SAT1ACE2
SCHEMBL17469730 0.77 TMPRSS2 (0.48) TMPRSS2FURINAOC1SAT1ACE2
SCHEMBL17469661 0.77 TMPRSS2 (0.56) TMPRSS2FURINAOC1SAT1ACE2
SCHEMBL18999196 0.76 TMPRSS2 (0.44) TMPRSS2FURINAOC1SAT1ACE2
SCHEMBL17469802 0.74 TMPRSS2 (0.40) TMPRSS2FURINAOC1SAT1ACE2
SCHEMBL17469727 0.73 TMPRSS2 (0.41) TMPRSS2FURINAOC1SAT1ACE2
SCHEMBL18999198 0.71 TMPRSS2 (0.42) TMPRSS2FURINAOC1SAT1ACE2
SCHEMBL18999197 0.70 TMPRSS2 (0.40) TMPRSS2FURINAOC1SAT1ACE2
SCHEMBL17469728 0.69 TMPRSS2 (0.40) TMPRSS2FURINAOC1SAT1ACE2
SCHEMBL18999171 0.67 TMPRSS2 (0.84) TMPRSS2FURINAOC1SAT1ACE2

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
US-20190209548-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME UNIVERSITY OF MARYLAND, BALTIMORE 2019-07-11 US disclosed
US-20170174620-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME UNIVERSITY OF MARYLAND, COLLEGE PARK 2017-06-22 US disclosed
WO-2016014674-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2016-01-28 WO 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 (2 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-20170174620-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME MCL1, DPYD, TOP2B TMPRSS2 3385/4885FURIN 3596/4885AOC1 344/4885
US-20190209548-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME MCL1, DPYD, TOP2B TMPRSS2 3385/4885FURIN 3596/4885AOC1 344/4885

“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.