SCHEMBL17469776

SCHEMBL17469776

N=C(N)c1ccc(-c2ccc(-c3c(N)ncc4ccccc34)o2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 14/20 0.56
PRMT1 Q99873 2/20 0.54
ALDH1A1 P00352 1/20 0.54
TOP1 P11387 1/20 0.54
HPGD P15428 1/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
TOP2A P11388 1/20 0.52
TOP2B Q02880 1/20 0.52
WDR5 P61964 1/20 0.39
KIT P10721 1/20 0.38
FLT3 P36888 1/20 0.38
NTRK3 Q16288 1/20 0.38

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
SCHEMBL18999192 0.88 NQO2 (0.40) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL17469791 0.84 WDR5 (0.49) NQO2HPGDTDP1WDR5KIT
SCHEMBL17469784 0.82 ATR (0.47) NQO2ALDH1A1HPGDHSD17B10WDR5
SCHEMBL17469787 0.81 WDR5 (0.45) NQO2PRMT1ALDH1A1HPGDHSD17B10
SCHEMBL17469786 0.81 WDR5 (0.41) NQO2PRMT1ALDH1A1HPGDHSD17B10
Furamidine SCHEMBL549198 0.73 NQO2 (1.00) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL17469775 0.72 F2 (0.49) KITFLT3NTRK3
SCHEMBL4357250 0.72 NQO2 (0.96) NQO2PRMT1ALDH1A1TOP1HPGD
Furamidine SCHEMBL7734063 0.72 TOP2A (1.00) NQO2PRMT1ALDH1A1TOP1HPGD
Furamidine SCHEMBL31175984 0.72 TOP2A (1.00) NQO2PRMT1ALDH1A1TOP1HPGD

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 NQO2 51/4885PRMT1 2331/4885ALDH1A1 635/4885
US-20190209548-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME MCL1, DPYD, TOP2B NQO2 51/4885PRMT1 2331/4885ALDH1A1 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.