Sugi Predict

Sugi Predict / Compounds / SCHEMBL17469728

SCHEMBL17469728

SCHEMBL17469728

CN(C)CCOc1ccc(C#Cc2ccccc2N/N=N/c2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 3/20 0.40
▸ AOC1 P19801 2/20 0.40
▸ SAT1 P21673 2/20 0.40
▸ FURIN P09958 1/20 0.40
▸ ACE2 Q9BYF1 1/20 0.40
▸ CYP2D6 P10635 3/20 0.39
▸ PRSS1 P07477 5/20 0.38
▸ ESR1 P03372 2/20 0.37
▸ ACHE P22303 2/20 0.37
▸ BCHE P06276 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ CHRM2 P08172 2/20 0.37
▸ CHRM4 P08173 2/20 0.37
▸ CHRM5 P08912 2/20 0.37
▸ ADRA2A P08913 2/20 0.37
▸ DRD1 P21728 2/20 0.37
▸ SLC6A2 P23975 2/20 0.37
▸ HTR2A P28223 2/20 0.37
▸ HTR2C P28335 2/20 0.37
▸ SLC6A4 P31645 2/20 0.37

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 0.82 TMPRSS2 (0.52) TMPRSS2AOC1SAT1FURINACE2
SCHEMBL17469730 0.80 TMPRSS2 (0.48) TMPRSS2AOC1SAT1FURINACE2
SCHEMBL17469631 0.76 ALDH1A1 (0.46) MAPTNPC1OPRK1RAB9AKMT2A
SCHEMBL17469632 0.74 SLC16A3 (0.40) TMPRSS2AOC1SAT1FURINACE2
SCHEMBL17469727 0.74 TMPRSS2 (0.41) TMPRSS2AOC1SAT1FURINACE2
SCHEMBL12461262 0.73 PRSS1 (0.70) TMPRSS2AOC1SAT1CYP2D6PRSS1
SCHEMBL17469802 0.73 TMPRSS2 (0.40) TMPRSS2AOC1SAT1FURINACE2
SCHEMBL17469629 0.72 SLC16A3 (0.43) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL17469846 0.72 PKM (0.38) TMPRSS2AOC1SAT1FURINACE2
SCHEMBL17469661 0.72 TMPRSS2 (0.56) TMPRSS2AOC1SAT1FURINACE2

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 3385/4885AOC1 344/4885SAT1 1856/4885
US-20190209548-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME MCL1, DPYD, TOP2B TMPRSS2 3385/4885AOC1 344/4885SAT1 1856/4885

“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.