SCHEMBL17469791

SCHEMBL17469791

N=C(N)c1ccc(-c2ccc(-c3c(N)ncc4ccccc34)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.49
KIT P10721 1/20 0.43
FLT3 P36888 1/20 0.43
NTRK3 Q16288 1/20 0.43
F2 P00734 5/20 0.39
PLAU P00749 4/20 0.39
PLG P00747 2/20 0.39
KLK1 P06870 2/20 0.39
PRSS1 P07477 2/20 0.39
KLKB1 P03952 1/20 0.39
NQO2 P16083 3/20 0.39
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PLAT P00750 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 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
SCHEMBL17469787 0.91 WDR5 (0.45) WDR5KITFLT3NTRK3F2
SCHEMBL17469786 0.91 WDR5 (0.41) WDR5KITFLT3NTRK3F2
SCHEMBL17469776 0.84 NQO2 (0.56) WDR5KITFLT3NTRK3NQO2
SCHEMBL17469784 0.83 ATR (0.47) WDR5KITFLT3NTRK3NQO2
SCHEMBL17469737 0.82 FLT3 (0.46) FLT3KDM4EL3MBTL1MAPTMAPK1
SCHEMBL11331611 0.80 KDM4E (0.53) PLAUKDM4EL3MBTL1MAPTMAPK1
SCHEMBL21152707 0.78 F2 (0.41) KITFLT3NTRK3F2PLG
SCHEMBL17469794 0.76 KIT (0.39) KITFLT3NTRK3F2PLAU
SCHEMBL17469771 0.76 MIF (0.45) KITFLT3NTRK3
SCHEMBL17469769 0.75 PLAU (0.41) KITFLT3NTRK3F2PLAU

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 WDR5 3110/4885KIT 2616/4885FLT3 2354/4885

“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.