SCHEMBL17469657

SCHEMBL17469657

N=C(N)c1ccc(/N=N/Nc2cccc(C#Cc3ccc(F)cc3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 1/20 0.56
FURIN P09958 1/20 0.56
AOC1 P19801 1/20 0.56
SAT1 P21673 1/20 0.56
ACE2 Q9BYF1 1/20 0.56
ASIC3 Q9UHC3 1/20 0.43
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NQO2 P16083 3/20 0.38
PLAU P00749 2/20 0.38
TERT O14746 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CYP1B1 Q16678 3/20 0.36
CYP1A1 P04798 2/20 0.35
ST14 Q9Y5Y6 3/20 0.34

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
SCHEMBL17469666 0.90 TMPRSS2 (0.61) TMPRSS2FURINAOC1SAT1ACE2
SCHEMBL17469670 0.85 FURIN (0.52) TMPRSS2FURINAOC1SAT1ACE2
SCHEMBL17469665 0.82 TMPRSS2 (0.62) TMPRSS2FURINAOC1SAT1ACE2
SCHEMBL17469730 0.81 TMPRSS2 (0.48) TMPRSS2FURINAOC1SAT1ACE2
SCHEMBL17469729 0.80 TMPRSS2 (0.51) TMPRSS2FURINAOC1SAT1ACE2
SCHEMBL18999171 0.75 TMPRSS2 (0.84) TMPRSS2FURINAOC1SAT1ACE2
SCHEMBL19006340 0.75 TMPRSS2 (0.68) TMPRSS2FURINAOC1SAT1ACE2
SCHEMBL17469779 0.74 TMPRSS2 (0.66) TMPRSS2FURINAOC1SAT1ACE2
Diminazene SCHEMBL871301 0.73 TMPRSS2 (1.00) TMPRSS2FURINAOC1SAT1ACE2
Diminazene SCHEMBL120719 0.73 TMPRSS2 (1.00) 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 4 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
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.