SCHEMBL19006334

SCHEMBL19006334

N=C(N)c1ccc(Nc2c(N)ncc3ccc(Nc4ncc5ccccc5c4Oc4ccc(C(=N)N)cc4)cc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.39
F2 P00734 7/20 0.37
PIN1 Q13526 2/20 0.37
ST14 Q9Y5Y6 5/20 0.37
PRSS1 P07477 4/20 0.37
PRSS2 P07478 4/20 0.37
PRSS3 P35030 4/20 0.37
KIT P10721 1/20 0.35
FLT3 P36888 1/20 0.35
NTRK3 Q16288 1/20 0.35
F10 P00742 4/20 0.35
PRMT1 Q99873 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
FURIN P09958 1/20 0.34
DHFR P00374 1/20 0.34

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
SCHEMBL17469769 0.81 PLAU (0.41) PLAUF2PRSS1KITFLT3
SCHEMBL17469775 0.78 F2 (0.49) PLAUF2ST14PRSS1PRSS2
SCHEMBL19006228 0.70 PLAU (0.40) PLAUF2F10HDAC1HDAC6
SCHEMBL17469772 0.69 PLAU (0.49) PLAUF2ST14PRSS1PRSS2
SCHEMBL17469777 0.65 KCNJ11 (0.44) PLAUF2PRSS1KITFLT3
SCHEMBL17469791 0.62 WDR5 (0.49) PLAUF2PRSS1KITFLT3
SCHEMBL17469787 0.62 WDR5 (0.45) PLAUF2PRSS1PRSS3KIT
SCHEMBL17469783 0.60 FLT3 (0.52) PLAUF2ST14PRSS1PRSS2
SCHEMBL17469647 0.60 KIT (0.70) PLAUF2ST14PRSS1KIT
SCHEMBL17469786 0.60 WDR5 (0.41) PLAUF2PRSS1KITFLT3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 PLAU 3225/4885F2 4544/4885PIN1 1204/4885

“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.