SCHEMBL21152355

SCHEMBL21152355

CN(C)CC#Cc1ccc2c(/N=C(\N)c3ccc(/N=N/c4c(N)nc(/N=C(\N)c5ccc(/N=N/c6c(N)ncc7ccc(-c8ccn[nH]8)cc67)cn5)c5ccc(C#CCN(C)C)cc45)nc3)nc(N)c(/N=N/c3ccc(C(=N)N)nc3)c2c1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.33
FLT3 P36888 1/20 0.33
NTRK3 Q16288 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
SCHEMBL21152354 0.78 FLT3 (0.48) KITFLT3NTRK3
SCHEMBL21152352 0.73 KIT (0.49) KITFLT3NTRK3
SCHEMBL17469618 0.72 FLT3 (0.62) KITFLT3NTRK3
SCHEMBL21152334 0.71 KIT (0.38) KITFLT3NTRK3
SCHEMBL17469620 0.70 KIT (0.64) KITFLT3NTRK3
SCHEMBL21152333 0.62 KIT (0.56) KITFLT3NTRK3
SCHEMBL21153070 0.60 FLT3 (0.56) KITFLT3NTRK3
SCHEMBL21153071 0.60 KIT (0.56) KITFLT3NTRK3
SCHEMBL21153054 0.60 KIT (0.54) KITFLT3NTRK3
SCHEMBL17469788 0.58 KIT (0.52) KITFLT3NTRK3

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.