SCHEMBL17469802

SCHEMBL17469802

N=C(N)c1ccc(/N=N/Nc2ccccc2C#Cc2ccc3nc[nH]c3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 1/20 0.40
FURIN P09958 1/20 0.40
AOC1 P19801 1/20 0.40
SAT1 P21673 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
HSD11B1 P28845 1/20 0.36
KDM4E B2RXH2 3/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
RAB9A P51151 2/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
CPT1A P50416 1/20 0.35
CPT1B Q92523 1/20 0.35
POLB P06746 6/20 0.35
NQO2 P16083 1/20 0.34
HDAC6 Q9UBN7 1/20 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
SCHEMBL17469727 0.84 TMPRSS2 (0.41) TMPRSS2FURINAOC1SAT1ACE2
SCHEMBL17469669 0.80 TMPRSS2 (0.52) TMPRSS2FURINAOC1SAT1ACE2
SCHEMBL17469730 0.79 TMPRSS2 (0.48) TMPRSS2FURINAOC1SAT1ACE2
SCHEMBL18999198 0.77 TMPRSS2 (0.42) TMPRSS2FURINAOC1SAT1ACE2
SCHEMBL18999197 0.76 TMPRSS2 (0.40) TMPRSS2FURINAOC1SAT1ACE2
SCHEMBL17469803 0.74 TMPRSS2 (0.45) TMPRSS2FURINAOC1SAT1ACE2
SCHEMBL17469728 0.73 TMPRSS2 (0.40) TMPRSS2FURINAOC1SAT1ACE2
SCHEMBL17469661 0.72 TMPRSS2 (0.56) TMPRSS2FURINAOC1SAT1ACE2
SCHEMBL18999196 0.71 TMPRSS2 (0.44) TMPRSS2FURINAOC1SAT1ACE2
SCHEMBL18999199 0.69 TMPRSS2 (0.33) 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.