SCHEMBL17469844

SCHEMBL17469844

CN(C)CCCNc1ncc2ccccc2c1/N=N/c1ccc(C(=N)N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.42
KIT P10721 1/20 0.42
NTRK3 Q16288 1/20 0.42
F7 P08709 2/20 0.42
F3 P13726 2/20 0.42
NQO2 P16083 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
TOP2A P11388 2/20 0.40
RAD52 P43351 6/20 0.39
POLB P06746 4/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 1/20 0.38
SLC2A1 P11166 1/20 0.38
APOBEC3A P31941 1/20 0.38
RAB9A P51151 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
UHRF1 Q96T88 1/20 0.37
ST14 Q9Y5Y6 1/20 0.37
BCL2 P10415 2/20 0.37

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
SCHEMBL17469624 0.89 KIT (0.44) FLT3KITNTRK3F7F3
SCHEMBL19006217 0.87 FLT3 (0.61) FLT3KITNTRK3F7F3
SCHEMBL21153043 0.84 TOP2A (0.41) FLT3ALDH1A1MAPK1TOP2ARAD52
SCHEMBL17469621 0.80 F7 (0.43) F7F3ALDH1A1MAPK1TOP2A
SCHEMBL17469622 0.79 KIT (0.44) FLT3KITNTRK3NQO2MAPK1
SCHEMBL17469626 0.76 FLT3 (0.47) FLT3KITNTRK3F7F3
SCHEMBL19006220 0.75 MERTK (0.35) FLT3KITNTRK3F7F3
SCHEMBL17469647 0.74 KIT (0.70) FLT3KITNTRK3NQO2MAPK1
SCHEMBL17469875 0.70 FLT3 (0.41) FLT3KITNTRK3F7F3
SCHEMBL17469845 0.69 PRSS1 (0.42) F7F3ST14

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 2 patents. 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
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 (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 FLT3 2354/4885KIT 2616/4885NTRK3 4453/4885

“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.