SCHEMBL17469742

SCHEMBL17469742

CN(/N=N/c1ccc(C(=N)N)cc1)c1ccccc1C#Cc1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 3/20 0.36
ASIC3 Q9UHC3 1/20 0.36
TMPRSS2 O15393 1/20 0.33
FURIN P09958 1/20 0.33
AOC1 P19801 1/20 0.33
SAT1 P21673 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
APP P05067 1/20 0.32

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
SCHEMBL17469740 0.79 PRSS1 (0.34)
SCHEMBL17469741 0.76 MAPK14 (0.33)
SCHEMBL17469730 0.76 TMPRSS2 (0.48) NQO2ASIC3TMPRSS2FURINAOC1
SCHEMBL17469657 0.68 TMPRSS2 (0.56) NQO2ASIC3TMPRSS2FURINAOC1
SCHEMBL18999199 0.65 TMPRSS2 (0.33) ASIC3TMPRSS2FURINAOC1SAT1
SCHEMBL17469669 0.65 TMPRSS2 (0.52) NQO2ASIC3TMPRSS2FURINAOC1
SCHEMBL28995725 0.65 NPC1 (0.37) APP
SCHEMBL18999200 0.65 ASIC3 (0.38) ASIC3TMPRSS2FURINAOC1SAT1
SCHEMBL18574217 0.65 ASIC3 (0.71) NQO2ASIC3APP
SCHEMBL8973401 0.64 ASIC3 (0.58) ASIC3TMPRSS2

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-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 (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 NQO2 51/4885ASIC3 4763/4885TMPRSS2 3385/4885

“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.