SCHEMBL21153040

SCHEMBL21153040

CCCCNc1nc(N/C(=N/O)c2ccc(/C=C/c3c(N)ncc4ccccc34)cc2)c2ccccc2c1/N=N/c1ccc(C(=N)N)cc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.37
FLT3 P36888 1/20 0.37
NTRK3 Q16288 1/20 0.37
F2 P00734 2/20 0.33
F7 P08709 2/20 0.33
F3 P13726 2/20 0.33
NQO2 P16083 2/20 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
SCHEMBL17469624 0.77 KIT (0.44) KITFLT3NTRK3F2F7
SCHEMBL17469844 0.68 FLT3 (0.42) KITFLT3NTRK3F7F3
SCHEMBL19006220 0.68 MERTK (0.35) KITFLT3NTRK3F2F7
SCHEMBL17469804 0.67 KDM1A (0.48) FLT3
SCHEMBL17469733 0.67 KDM1A (0.48) FLT3
SCHEMBL17469647 0.67 KIT (0.70) KITFLT3NTRK3F2NQO2
SCHEMBL17469845 0.63 PRSS1 (0.42) F2F7F3
SCHEMBL17469622 0.62 KIT (0.44) KITFLT3NTRK3NQO2
SCHEMBL17469626 0.60 FLT3 (0.47) KITFLT3NTRK3F2F7
SCHEMBL17469638 0.60 KIT (0.57) KITFLT3NTRK3NQO2

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-20190209548-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME UNIVERSITY OF MARYLAND, BALTIMORE 2019-07-11 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-20190209548-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME MCL1, DPYD, TOP2B KIT 2616/4885FLT3 2354/4885NTRK3 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.