SCHEMBL19006330

SCHEMBL19006330

N=C(N)c1ccc(N/N=N/c2ccccc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 1/20 0.84
FURIN P09958 1/20 0.84
AOC1 P19801 1/20 0.84
SAT1 P21673 1/20 0.84
ACE2 Q9BYF1 1/20 0.84
CYP1A1 P04798 3/20 0.61
CYP1B1 Q16678 3/20 0.61
TSHR P16473 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
RAB9A P51151 6/20 0.51
NPC1 O15118 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
HPGD P15428 2/20 0.51
NQO2 P16083 2/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
CASP3 P42574 2/20 0.49
SENP8 Q96LD8 2/20 0.49

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
SCHEMBL18999171 0.93 TMPRSS2 (0.84) TMPRSS2FURINAOC1SAT1ACE2
Diminazene SCHEMBL120719 0.91 TMPRSS2 (1.00) TMPRSS2FURINAOC1SAT1ACE2
Diminazene SCHEMBL871301 0.91 TMPRSS2 (1.00) TMPRSS2FURINAOC1SAT1ACE2
Diminazene SCHEMBL22491199 0.90 TMPRSS2 (0.96) TMPRSS2FURINAOC1SAT1ACE2
Diminazene SCHEMBL22491202 0.90 TMPRSS2 (0.96) TMPRSS2FURINAOC1SAT1ACE2
Diminazene SCHEMBL13836545 0.86 TMPRSS2 (0.82) TMPRSS2FURINAOC1SAT1ACE2
SCHEMBL12348395 0.84 TMPRSS2 (0.84) TMPRSS2FURINAOC1SAT1ACE2
SCHEMBL19006339 0.84 TMPRSS2 (0.84) TMPRSS2FURINAOC1SAT1ACE2
SCHEMBL18999169 0.84 TMPRSS2 (0.84) TMPRSS2FURINAOC1SAT1ACE2
SCHEMBL17469779 0.82 TMPRSS2 (0.66) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20170174620-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.