SCHEMBL17469805

SCHEMBL17469805

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.71
GRM5 P41594 1/20 0.34
GAA P10253 2/20 0.33
RAB9A P51151 2/20 0.33
PDPK1 O15530 1/20 0.32
ASIC3 Q9UHC3 1/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM1A O60341 3/20 0.31
BRAF P15056 1/20 0.31
PLAU P00749 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GPR3 P46089 1/20 0.30
F10 P00742 1/20 0.30
KIT P10721 1/20 0.30

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 0.85 FLT3 (0.52) FLT3GRM5
SCHEMBL17469783 0.85 FLT3 (0.52) FLT3GRM5ASIC3PLAUF10
SCHEMBL17459806 0.81 FLT3 (0.47) FLT3MAPTLMNAPLAUKDM4E
SCHEMBL19006337 0.81 FLT3 (0.59) FLT3PDPK1
SCHEMBL7258784 0.81 FLT3 (0.45) FLT3GRM5ASIC3MAPTNPC1
SCHEMBL17469737 0.76 FLT3 (0.46) FLT3GAARAB9APDPK1MAPT
SCHEMBL19006332 0.76 FLT3 (0.43) FLT3PDPK1MAPTPLAUKDM4E
SCHEMBL17469733 0.72 KDM1A (0.48) FLT3KDM1A
SCHEMBL17469804 0.72 KDM1A (0.48) FLT3KDM1A
SCHEMBL21152882 0.72 FLT3 (0.39) FLT3ASIC3HSD17B10

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 2354/4885GRM5 4401/4885GAA 1338/4885
US-20190209548-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME MCL1, DPYD, TOP2B FLT3 2354/4885GRM5 4401/4885GAA 1338/4885

“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.