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Sugi Predict / Compounds / SCHEMBL17469846

SCHEMBL17469846

SCHEMBL17469846

CN(C)CCNC(=O)c1ccc(C#Cc2ccc(F)cc2)c(N/N=N/c2ccc(C(=N)N)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.38
▸ HTR7 P34969 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MAPK14 Q16539 1/20 0.36
▸ TMPRSS2 O15393 1/20 0.36
▸ FURIN P09958 1/20 0.36
▸ AOC1 P19801 1/20 0.36
▸ SAT1 P21673 1/20 0.36
▸ ACE2 Q9BYF1 1/20 0.36
▸ MAPK1 P28482 1/20 0.34
▸ NAMPT P43490 3/20 0.34
▸ CCNT1 O60563 2/20 0.34
▸ CDK2 P24941 2/20 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
SCHEMBL17469730 0.76 TMPRSS2 (0.48) PKMALDH1A1KDM4EHPGDHSD17B10
SCHEMBL17469631 0.74 ALDH1A1 (0.46) ALDH1A1GAAHPGDALOX5
SCHEMBL17469740 0.74 PRSS1 (0.34) PKMALDH1A1
SCHEMBL17469728 0.72 TMPRSS2 (0.40) TMPRSS2FURINAOC1SAT1ACE2
SCHEMBL17469657 0.69 TMPRSS2 (0.56) ALDH1A1HPGDTMPRSS2FURINAOC1
SCHEMBL18999199 0.68 TMPRSS2 (0.33) TMPRSS2FURINAOC1SAT1ACE2
SCHEMBL17469731 0.67 TMPRSS2 (0.46) ALDH1A1HPGDTMPRSS2FURINAOC1
SCHEMBL17469669 0.67 TMPRSS2 (0.52) PKMALDH1A1KDM4EHPGDHSD17B10
SCHEMBL21531026 0.67 ALDH1A1 (0.63) PKMALDH1A1KDM4EGLAGAA
SCHEMBL30074587 0.67 ALDH1A1 (0.63) PKMALDH1A1KDM4EGLAGAA

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 PKM 3747/4885HTR7 2979/4885ALDH1A1 635/4885
US-20190209548-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME MCL1, DPYD, TOP2B PKM 3747/4885HTR7 2979/4885ALDH1A1 635/4885

“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.