Sugi Predict

Sugi Predict / Compounds / SCHEMBL17469780

SCHEMBL17469780

SCHEMBL17469780

N=C(N)c1ccc(/N=N/c2c(N)ncc3ccc(Br)cc23)c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 1/20 0.62
▸ FLT3 P36888 1/20 0.62
▸ NTRK3 Q16288 1/20 0.62
▸ PLG P00747 1/20 0.34
▸ PLAU P00749 1/20 0.34
▸ PLAT P00750 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CCNE2 O96020 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 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
SCHEMBL17469790 0.88 KIT (0.44) KITFLT3NTRK3PLAUKMT2A
SCHEMBL17469649 0.77 KIT (1.00) KITFLT3NTRK3PLGPLAU
SCHEMBL17469611 0.76 FLT3 (0.78) KITFLT3NTRK3PLGPLAU
SCHEMBL17469848 0.72 KIT (0.74) KITFLT3NTRK3PLGPLAU
SCHEMBL17469655 0.70 KIT (0.79) KITFLT3NTRK3PLGPLAU
SCHEMBL17469644 0.70 FLT3 (0.78) KITFLT3NTRK3PLGPLAU
SCHEMBL17469796 0.70 KIT (0.79) KITFLT3NTRK3PLGPLAU
SCHEMBL17469798 0.69 FLT3 (0.77) KITFLT3NTRK3PLGPLAU
SCHEMBL17469778 0.68 KIT (0.70) KITFLT3NTRK3PLGPLAU
SCHEMBL17469658 0.68 KIT (0.67) KITFLT3NTRK3PLGPLAU

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 4 patents. 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
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
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
WO-2016014674-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2016-01-28 — — WO 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 (2 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 KIT 2616/4885FLT3 2354/4885NTRK3 4453/4885
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.