SCHEMBL21152352

SCHEMBL21152352

N=C(N)c1ccc(/N=N/c2c(N)ncc3ccc(-c4ccn[nH]4)cc23)nc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.49
FLT3 P36888 1/20 0.49
NTRK3 Q16288 1/20 0.49
JAK2 O60674 1/20 0.39
MAPK10 P53779 1/20 0.36
ABL1 P00519 1/20 0.34
ST14 Q9Y5Y6 1/20 0.33
NLRP3 Q96P20 3/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
HDAC1 Q13547 1/20 0.31
NOTUM Q6P988 2/20 0.30
CD74 P04233 1/20 0.30
MIF P14174 1/20 0.30
HPGDS O60760 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
SCHEMBL17469620 0.88 KIT (0.64) KITFLT3NTRK3JAK2MAPK10
SCHEMBL21153067 0.79 FLT3 (0.56) KITFLT3NTRK3ST14
SCHEMBL21153073 0.79 FLT3 (0.56) KITFLT3NTRK3ST14
SCHEMBL17469789 0.77 KIT (0.52) KITFLT3NTRK3ST14NPC1
SCHEMBL18999173 0.73 KIT (0.64) KITFLT3NTRK3ABL1ST14
SCHEMBL17469650 0.66 FLT3 (0.75) KITFLT3NTRK3ST14NPC1
SCHEMBL17469652 0.66 KIT (0.75) KITFLT3NTRK3ST14NPC1
SCHEMBL17469649 0.66 KIT (1.00) KITFLT3NTRK3ST14NPC1
SCHEMBL17469648 0.66 KIT (0.75) KITFLT3NTRK3ST14NPC1
SCHEMBL21152053 0.66 KIT (0.44) KITFLT3NTRK3NPC1RAB9A

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.