SCHEMBL19006217

SCHEMBL19006217

CN(C)CCCNc1ncc2ccc(Br)cc2c1/N=N/c1ccc(C(=N)N)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.61
KIT P10721 1/20 0.61
NTRK3 Q16288 1/20 0.61
ST14 Q9Y5Y6 1/20 0.41
EGFR P00533 5/20 0.36
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35
F2 P00734 3/20 0.35
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
NQO2 P16083 1/20 0.32

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
SCHEMBL17469844 0.87 FLT3 (0.42) FLT3KITNTRK3ST14F7
SCHEMBL17469875 0.82 FLT3 (0.41) FLT3KITNTRK3ST14EGFR
SCHEMBL17469734 0.81 KIT (0.64) FLT3KITNTRK3ST14F2
SCHEMBL17469624 0.76 KIT (0.44) FLT3KITNTRK3ST14F7
SCHEMBL17469649 0.76 KIT (1.00) FLT3KITNTRK3ST14F2
SCHEMBL21153043 0.72 TOP2A (0.41) FLT3ALDH1A1MAPK1
SCHEMBL17469778 0.72 KIT (0.70) FLT3KITNTRK3ST14MAPK1
SCHEMBL17469639 0.72 KIT (0.67) FLT3KITNTRK3ST14MAPK1
SCHEMBL17469621 0.70 F7 (0.43) ST14F7F3F2ALDH1A1
SCHEMBL17469655 0.69 KIT (0.79) FLT3KITNTRK3ST14F2

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 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.