SCHEMBL17469648

SCHEMBL17469648

N=C(N)c1ccc(/N=N/c2c(N)ncc3ccc(F)cc23)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.75
FLT3 P36888 1/20 0.75
NTRK3 Q16288 1/20 0.75
ST14 Q9Y5Y6 1/20 0.53
MAPT P10636 6/20 0.38
TDP1 Q9NUW8 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
THRB P10828 1/20 0.38
MAPK1 P28482 1/20 0.38
NQO2 P16083 3/20 0.37
KMT2A Q03164 5/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 3/20 0.36
GFER P55789 1/20 0.36
BCL2 P10415 2/20 0.36
PLA2G1B P04054 1/20 0.36
APP P05067 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL21153073 0.86 FLT3 (0.56) KITFLT3NTRK3ST14TDP1
SCHEMBL21153071 0.86 KIT (0.56) KITFLT3NTRK3ST14MAPT
SCHEMBL17469649 0.86 KIT (1.00) KITFLT3NTRK3ST14MAPT
SCHEMBL17469650 0.86 FLT3 (0.75) KITFLT3NTRK3ST14MAPT
SCHEMBL17469652 0.86 KIT (0.75) KITFLT3NTRK3ST14MAPT
SCHEMBL17469651 0.83 FLT3 (0.71) KITFLT3NTRK3ST14MAPT
SCHEMBL17469647 0.83 KIT (0.70) KITFLT3NTRK3ST14MAPT
SCHEMBL18999174 0.79 KIT (0.65) KITFLT3NTRK3ST14MAPT
SCHEMBL17469619 0.79 KIT (0.83) KITFLT3NTRK3ST14MAPT
SCHEMBL18999173 0.79 KIT (0.64) KITFLT3NTRK3ST14MAPT

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-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
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 KIT 2616/4885FLT3 2354/4885NTRK3 4453/4885
US-20190209548-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.