SCHEMBL17469783

SCHEMBL17469783

N=C(N)c1ccc(C#Cc2c(N)ncc3ccccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.52
ASIC3 Q9UHC3 1/20 0.45
KIT P10721 1/20 0.40
NTRK3 Q16288 1/20 0.40
F2 P00734 6/20 0.38
PLAU P00749 4/20 0.36
PRSS1 P07477 3/20 0.36
PLG P00747 2/20 0.36
KLK1 P06870 2/20 0.36
KLKB1 P03952 1/20 0.36
PLAT P00750 1/20 0.36
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
TMPRSS6 Q8IU80 1/20 0.35
ST14 Q9Y5Y6 1/20 0.35
GRM5 P41594 1/20 0.35
F10 P00742 1/20 0.35
F12 P00748 1/20 0.35
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35

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
SCHEMBL17469773 0.87 FLT3 (0.52) FLT3GRM5
SCHEMBL17469805 0.85 FLT3 (0.71) FLT3ASIC3KITNTRK3PLAU
SCHEMBL7258784 0.83 FLT3 (0.45) FLT3ASIC3PLAUGRM5F12
SCHEMBL21103118 0.83 FLT3 (0.76) FLT3ASIC3KITNTRK3F2
SCHEMBL17459806 0.81 FLT3 (0.47) FLT3PLAUF12
SCHEMBL19006332 0.78 FLT3 (0.43) FLT3F2PLAUF12
SCHEMBL19891275 0.77 ASIC3 (0.43) FLT3ASIC3F2PLAUPRSS1
SCHEMBL19891278 0.77 FLT3 (0.42) FLT3ASIC3KITNTRK3F2
SCHEMBL23599649 0.76 FLT3 (0.52) FLT3ASIC3KITNTRK3PLAU
SCHEMBL19891277 0.76 ASIC3 (0.47) ASIC3F2PLAUPRSS1PLG

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 FLT3 2354/4885ASIC3 4763/4885KIT 2616/4885
US-20190209548-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME MCL1, DPYD, TOP2B FLT3 2354/4885ASIC3 4763/4885KIT 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.