SCHEMBL17469667

SCHEMBL17469667

CCN(CC)CCNC(=O)c1ccc(/N=N/c2c(N)ncc3ccc(Br)cc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.59
FLT3 P36888 1/20 0.59
NTRK3 Q16288 1/20 0.59
LMNA P02545 3/20 0.48
ALDH1A1 P00352 2/20 0.48
SLC22A2 O15244 1/20 0.48
SLC22A1 O15245 1/20 0.48
TSHR P16473 1/20 0.48
ACHE P22303 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
BLM P54132 2/20 0.47
PMP22 Q01453 1/20 0.47
SCN1A P35498 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
NFKB1 P19838 1/20 0.41
KCNH2 Q12809 1/20 0.41
POLB P06746 2/20 0.41

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
SCHEMBL17469796 0.79 KIT (0.79) KITFLT3NTRK3ALDH1A1MAPK1
SCHEMBL17469660 0.79 KIT (0.75) KITFLT3NTRK3LMNAMAPK1
SCHEMBL17469639 0.78 KIT (0.67) KITFLT3NTRK3LMNAMAPK1
SCHEMBL17469778 0.76 KIT (0.70) KITFLT3NTRK3MAPK1L3MBTL1
SCHEMBL17469655 0.75 KIT (0.79) KITFLT3NTRK3MAPK1L3MBTL1
SCHEMBL17469649 0.75 KIT (1.00) KITFLT3NTRK3MAPK1CYP2C19
SCHEMBL18999201 0.74 KIT (0.67) KITFLT3NTRK3LMNAALDH1A1
SCHEMBL17469798 0.74 FLT3 (0.77) KITFLT3NTRK3LMNAMAPK1
SCHEMBL17469637 0.73 KIT (0.72) KITFLT3NTRK3MAPK1L3MBTL1
SCHEMBL17469644 0.73 FLT3 (0.78) KITFLT3NTRK3MAPK1L3MBTL1

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 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.