SCHEMBL17469775

SCHEMBL17469775

N=C(N)c1ccc(Oc2c(N)ncc3ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.49
ST14 Q9Y5Y6 6/20 0.49
F10 P00742 6/20 0.49
PRSS1 P07477 6/20 0.49
PRSS2 P07478 4/20 0.49
PRSS3 P35030 4/20 0.49
PLAU P00749 2/20 0.47
FURIN P09958 1/20 0.44
TMPRSS6 Q8IU80 1/20 0.42
KIT P10721 1/20 0.41
FLT3 P36888 1/20 0.41
NTRK3 Q16288 1/20 0.41
PLG P00747 1/20 0.41
KLKB1 P03952 1/20 0.41
KLK1 P06870 1/20 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
SCHEMBL19006334 0.78 PLAU (0.39) F2ST14F10PRSS1PRSS2
SCHEMBL17469791 0.75 WDR5 (0.49) F2F10PRSS1PLAUKIT
SCHEMBL17469769 0.73 PLAU (0.41) F2PRSS1PLAUKITFLT3
SCHEMBL17469786 0.72 WDR5 (0.41) F2F10PRSS1PLAUKIT
SCHEMBL17469783 0.72 FLT3 (0.52) F2ST14F10PRSS1PRSS2
SCHEMBL17469647 0.72 KIT (0.70) F2ST14PRSS1PLAUFURIN
SCHEMBL17469787 0.72 WDR5 (0.45) F2PRSS1PRSS3PLAUKIT
SCHEMBL17469776 0.72 NQO2 (0.56) KITFLT3NTRK3
SCHEMBL17469777 0.71 KCNJ11 (0.44) F2F10PRSS1PLAUKIT
SCHEMBL12490218 0.70 POLB (0.46) PLAU

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 F2 4544/4885ST14 1581/4885F10 4762/4885
US-20190209548-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME MCL1, DPYD, TOP2B F2 4544/4885ST14 1581/4885F10 4762/4885

“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.