SCHEMBL17469787

SCHEMBL17469787

N=C(N)c1ccc(-c2cnc(-c3c(N)ncc4ccccc34)nc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.45
KIT P10721 1/20 0.40
FLT3 P36888 1/20 0.40
NTRK3 Q16288 1/20 0.40
CHEK2 O96017 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
PLAU P00749 4/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MASP2 O00187 1/20 0.38
THPO P40225 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
SCHEMBL17469791 0.91 WDR5 (0.49) WDR5KITFLT3NTRK3CHEK2
SCHEMBL17469786 0.90 WDR5 (0.41) WDR5KITFLT3NTRK3CHEK2
SCHEMBL17469776 0.81 NQO2 (0.56) WDR5KITFLT3NTRK3ALDH1A1
SCHEMBL17469784 0.80 ATR (0.47) WDR5KITFLT3NTRK3KDM4E
SCHEMBL17469794 0.73 KIT (0.39) KITFLT3NTRK3PLAUF2
SCHEMBL17469737 0.73 FLT3 (0.46) FLT3CHEK2MKNK1KDM4EMAPT
SCHEMBL395110 0.73 NPC1 (0.57) WDR5PLAUKDM4EMEN1NPC1
SCHEMBL17469771 0.72 MIF (0.45) KITFLT3NTRK3
SCHEMBL17469769 0.72 PLAU (0.41) KITFLT3NTRK3PLAUPRMT1
SCHEMBL17469775 0.72 F2 (0.49) KITFLT3NTRK3PLAUF2

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 WDR5 3110/4885KIT 2616/4885FLT3 2354/4885
US-20190209548-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.