SCHEMBL17469636

SCHEMBL17469636

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.51
FLT3 P36888 1/20 0.51
NTRK3 Q16288 1/20 0.51
NQO2 P16083 1/20 0.38
MAPT P10636 8/20 0.38
L3MBTL1 Q9Y468 5/20 0.38
KMT2A Q03164 5/20 0.38
TDP1 Q9NUW8 4/20 0.38
MEN1 O00255 4/20 0.38
SENP7 Q9BQF6 3/20 0.38
CASP3 P42574 2/20 0.38
SENP8 Q96LD8 2/20 0.38
SENP6 Q9GZR1 2/20 0.38
LMNA P02545 2/20 0.38
HSP90AA1 P07900 2/20 0.38
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
GAA P10253 1/20 0.38
ALPG P10696 1/20 0.38
RECQL P46063 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
SCHEMBL17469638 0.87 KIT (0.57) KITFLT3NTRK3NQO2MAPT
SCHEMBL21152054 0.87 KIT (0.42) KITFLT3NTRK3NQO2MAPT
SCHEMBL21152055 0.87 KIT (0.40) KITFLT3NTRK3MAPTL3MBTL1
SCHEMBL17469647 0.83 KIT (0.70) KITFLT3NTRK3NQO2MAPT
SCHEMBL21152056 0.76 KIT (0.47) KITFLT3NTRK3NQO2MAPT
SCHEMBL18999204 0.74 KIT (0.46) KITFLT3NTRK3MAPTL3MBTL1
SCHEMBL17469788 0.74 KIT (0.52) KITFLT3NTRK3NQO2MAPT
SCHEMBL21152053 0.74 KIT (0.44) KITFLT3NTRK3NQO2MAPT
SCHEMBL17469655 0.73 KIT (0.79) KITFLT3NTRK3NQO2MAPT
SCHEMBL17469789 0.71 KIT (0.52) KITFLT3NTRK3NQO2MAPT

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.