SCHEMBL17469794

SCHEMBL17469794

N=C(N)c1ccc(-n2ccc(-c3c(N)ncc4ccccc34)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.39
FLT3 P36888 1/20 0.39
NTRK3 Q16288 1/20 0.39
PLAU P00749 5/20 0.38
F2 P00734 8/20 0.35
PRSS1 P07477 5/20 0.35
PLG P00747 3/20 0.35
KLK1 P06870 3/20 0.35
KLKB1 P03952 1/20 0.35
PLAT P00750 2/20 0.35
F10 P00742 1/20 0.32
PLA2G10 O15496 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
TMPRSS6 Q8IU80 1/20 0.32
ST14 Q9Y5Y6 1/20 0.32
PDPK1 O15530 1/20 0.31
TYK2 P29597 1/20 0.31

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
SCHEMBL18999194 0.90 HTT (0.32) PLA2G10PDPK1TYK2
SCHEMBL17469771 0.83 MIF (0.45) KITFLT3NTRK3
SCHEMBL17469791 0.76 WDR5 (0.49) KITFLT3NTRK3PLAUF2
SCHEMBL17469787 0.73 WDR5 (0.45) KITFLT3NTRK3PLAUF2
SCHEMBL17469786 0.73 WDR5 (0.41) KITFLT3NTRK3PLAUF2
SCHEMBL18999191 0.73 MIF (0.44) FLT3
SCHEMBL17469768 0.72 MEN1 (0.42) PLAUKLKB1
SCHEMBL17469776 0.71 NQO2 (0.56) KITFLT3NTRK3
SCHEMBL17469784 0.70 ATR (0.47) KITFLT3NTRK3
SCHEMBL17469769 0.67 PLAU (0.41) KITFLT3NTRK3PLAUF2

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.