SCHEMBL17469771

SCHEMBL17469771

N=C(N)c1ccc(-n2cc(-c3c(N)ncc4ccccc34)nn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MIF P14174 9/20 0.45
FLT3 P36888 4/20 0.36
KIT P10721 1/20 0.36
NTRK3 Q16288 1/20 0.36
ATM Q13315 1/20 0.36
ATR Q13535 1/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CA12 O43570 1/20 0.34
CA5A P35218 1/20 0.34
PTGS2 P35354 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
OGT O15294 1/20 0.33
CA4 P22748 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
SCHEMBL18999191 0.90 MIF (0.44) MIFFLT3ATMATRCA1
SCHEMBL17469794 0.83 KIT (0.39) FLT3KITNTRK3
SCHEMBL17469768 0.82 MEN1 (0.42) PTGS2
SCHEMBL17469791 0.76 WDR5 (0.49) FLT3KITNTRK3
SCHEMBL19891374 0.74 FLT3 (0.35) MIFFLT3KITNTRK3CA1
SCHEMBL17469784 0.74 ATR (0.47) FLT3KITNTRK3ATR
SCHEMBL18999194 0.73 HTT (0.32)
SCHEMBL17469787 0.72 WDR5 (0.45) FLT3KITNTRK3
SCHEMBL17469786 0.72 WDR5 (0.41) FLT3KITNTRK3
SCHEMBL19891147 0.71 MIF (0.38) MIFFLT3ATMATRCA1

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 MIF 3259/4885FLT3 2354/4885KIT 2616/4885
US-20190209548-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME MCL1, DPYD, TOP2B MIF 3259/4885FLT3 2354/4885KIT 2616/4885

“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.