SCHEMBL21152354

SCHEMBL21152354

CN(C)CC#Cc1ccc2cnc(N)c(/N=N/c3ccc(C(=N)N)nc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.48
KIT P10721 1/20 0.48
NTRK3 Q16288 1/20 0.48
PIKFYVE Q9Y2I7 3/20 0.38
STK16 O75716 1/20 0.37
CLK1 P49759 1/20 0.37
CLK2 P49760 1/20 0.37
DYRK1A Q13627 1/20 0.37
MYLK Q15746 1/20 0.37
MAP3K19 Q56UN5 1/20 0.37
MYLK4 Q86YV6 1/20 0.37
PIP4K2C Q8TBX8 1/20 0.37
HASPIN Q8TF76 1/20 0.37
AURKB Q96GD4 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
MAP4K5 Q9Y4K4 1/20 0.37
TBK1 Q9UHD2 1/20 0.36
PIM1 P11309 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
SCHEMBL17469618 0.89 FLT3 (0.62) FLT3KITNTRK3PIKFYVESTK16
SCHEMBL21152333 0.80 KIT (0.56) FLT3KITNTRK3ST14
SCHEMBL21153071 0.78 KIT (0.56) FLT3KITNTRK3ST14
SCHEMBL21153070 0.78 FLT3 (0.56) FLT3KITNTRK3ST14
SCHEMBL21152355 0.78 KIT (0.33) FLT3KITNTRK3
SCHEMBL17469788 0.75 KIT (0.52) FLT3KITNTRK3ST14
SCHEMBL21153054 0.74 KIT (0.54) FLT3KITNTRK3PIKFYVEST14
SCHEMBL17469651 0.71 FLT3 (0.71) FLT3KITNTRK3ST14
SCHEMBL17469652 0.67 KIT (0.75) FLT3KITNTRK3ST14
SCHEMBL21152868 0.66 KIT (0.47) FLT3KITNTRK3

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 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.