SCHEMBL17469777

SCHEMBL17469777

N=C(N)c1ccc(C(=O)Nc2c(N)ncc3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 9/20 0.44
ABCC9 O60706 2/20 0.44
ABCC8 Q09428 2/20 0.44
KCNJ8 Q15842 2/20 0.44
F10 P00742 3/20 0.43
KIT P10721 1/20 0.42
FLT3 P36888 1/20 0.42
NTRK3 Q16288 1/20 0.42
F2 P00734 3/20 0.42
PLG P00747 3/20 0.42
PLAU P00749 3/20 0.42
PLAT P00750 3/20 0.42
KLKB1 P03952 1/20 0.42
KLK1 P06870 1/20 0.42
PRSS1 P07477 1/20 0.42
NQO2 P16083 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL18999193 0.89 KCNJ11 (0.46) KCNJ11ABCC9ABCC8KCNJ8NPC1
SCHEMBL17469772 0.86 PLAU (0.49) KCNJ11F10F2PLGPLAU
SCHEMBL17469769 0.82 PLAU (0.41) KITFLT3NTRK3F2PLG
SCHEMBL17469791 0.73 WDR5 (0.49) F10KITFLT3NTRK3F2
SCHEMBL17469647 0.73 KIT (0.70) KITFLT3NTRK3F2PLG
SCHEMBL17469775 0.71 F2 (0.49) F10KITFLT3NTRK3F2
SCHEMBL17469787 0.70 WDR5 (0.45) KITFLT3NTRK3F2PLG
SCHEMBL17469783 0.70 FLT3 (0.52) F10KITFLT3NTRK3F2
SCHEMBL17469786 0.70 WDR5 (0.41) F10KITFLT3NTRK3F2
SCHEMBL9303908 0.69 PLG (0.48) KCNJ11ABCC9ABCC8KCNJ8F10

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 KCNJ11 3733/4885ABCC9 1158/4885ABCC8 1164/4885
US-20190209548-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME MCL1, DPYD, TOP2B KCNJ11 3733/4885ABCC9 1158/4885ABCC8 1164/4885

“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.