SCHEMBL17469722

SCHEMBL17469722

Nc1ncc2ccc(Br)cc2c1/N=N/c1ccc(-c2nccs2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.60
FLT3 P36888 1/20 0.60
NTRK3 Q16288 1/20 0.60
CHEK2 O96017 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.36
ADK P55263 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
PDPK1 O15530 1/20 0.34
ADORA2A P29274 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
MAPT P10636 3/20 0.33
HDAC2 Q92769 2/20 0.33
MAPK1 P28482 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC10 Q969S8 1/20 0.33

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
SCHEMBL18999181 0.87 KIT (0.44) KITFLT3NTRK3CHEK2LOXL2
SCHEMBL17469720 0.82 KIT (0.68) KITFLT3NTRK3MEN1KMT2A
SCHEMBL17469721 0.78 KIT (0.60) KITFLT3NTRK3ADKMEN1
SCHEMBL17469725 0.78 KIT (0.60) KITFLT3NTRK3ADORA2AMEN1
SCHEMBL18999205 0.78 KIT (0.52) KITFLT3NTRK3MEN1KMT2A
SCHEMBL17469724 0.77 KIT (0.61) KITFLT3NTRK3PDPK1MEN1
SCHEMBL17469719 0.75 KIT (0.59) KITFLT3NTRK3
SCHEMBL17469645 0.75 KIT (0.59) KITFLT3NTRK3PDPK1MEN1
SCHEMBL17469796 0.75 KIT (0.79) KITFLT3NTRK3CHEK2MEN1
SCHEMBL17469660 0.75 KIT (0.75) KITFLT3NTRK3MEN1KMT2A

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 2 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
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 KIT 2616/4885FLT3 2354/4885NTRK3 4453/4885

“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.