SCHEMBL17469737

SCHEMBL17469737

N/C(=N/O)c1ccc(-c2c(N)ncc3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.46
PDPK1 O15530 1/20 0.39
BRAF P15056 1/20 0.38
AKT1 P31749 1/20 0.36
KDM4E B2RXH2 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CHEK2 O96017 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
PRKCZ Q05513 1/20 0.34
USP7 Q93009 3/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL17469791 0.82 WDR5 (0.49) FLT3AKT1KDM4EL3MBTL1MAPT
SCHEMBL11331611 0.78 KDM4E (0.53) PDPK1AKT1KDM4EL3MBTL1MAPT
SCHEMBL17469804 0.76 KDM1A (0.48) FLT3KDM1A
SCHEMBL17469805 0.76 FLT3 (0.71) FLT3PDPK1BRAFKDM4EMAPT
SCHEMBL17469733 0.76 KDM1A (0.48) FLT3KDM1A
SCHEMBL17469786 0.76 WDR5 (0.41) FLT3KDM4EMAPTHPGDCHEK2
SCHEMBL17459811 0.75 ATR (0.43) AKT1KDM4EL3MBTL1MAPTMAPK1
SCHEMBL17469785 0.75 MEN1 (0.41) FLT3AKT1MAPK1CHEK2RAB9A
SCHEMBL19006337 0.74 FLT3 (0.59) FLT3PDPK1
SCHEMBL17469787 0.73 WDR5 (0.45) FLT3KDM4EMAPTHPGDCHEK2

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 2354/4885PDPK1 2781/4885BRAF 1836/4885
US-20190209548-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME MCL1, DPYD, TOP2B FLT3 2354/4885PDPK1 2781/4885BRAF 1836/4885

“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.