SCHEMBL17469647

SCHEMBL17469647

N=C(N)c1ccc(/N=N/c2c(N)ncc3ccccc23)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.70
FLT3 P36888 1/20 0.70
NTRK3 Q16288 1/20 0.70
NQO2 P16083 3/20 0.49
ST14 Q9Y5Y6 1/20 0.48
MAPT P10636 6/20 0.46
BCL2 P10415 2/20 0.46
PLA2G1B P04054 1/20 0.46
APP P05067 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
ALOX15 P16050 1/20 0.46
TNNI3 P19429 1/20 0.46
CYP2C19 P33261 1/20 0.46
SNCA P37840 1/20 0.46
RAD52 P43351 1/20 0.46
TNNT2 P45379 1/20 0.46
TNNC1 P63316 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
KMT2A Q03164 4/20 0.43

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
SCHEMBL17469638 0.86 KIT (0.57) KITFLT3NTRK3NQO2ST14
SCHEMBL17469789 0.85 KIT (0.52) KITFLT3NTRK3NQO2ST14
SCHEMBL17469788 0.85 KIT (0.52) KITFLT3NTRK3NQO2ST14
SCHEMBL17469793 0.84 KIT (0.51) KITFLT3NTRK3NQO2ST14
SCHEMBL17469636 0.83 KIT (0.51) KITFLT3NTRK3NQO2ST14
SCHEMBL17469648 0.83 KIT (0.75) KITFLT3NTRK3NQO2ST14
SCHEMBL17469650 0.83 FLT3 (0.75) KITFLT3NTRK3NQO2ST14
SCHEMBL17469652 0.83 KIT (0.75) KITFLT3NTRK3NQO2ST14
SCHEMBL18999174 0.83 KIT (0.65) KITFLT3NTRK3NQO2ST14
SCHEMBL17469619 0.83 KIT (0.83) KITFLT3NTRK3NQO2ST14

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.