SCHEMBL17469660

SCHEMBL17469660

Nc1ncc2ccc(Br)cc2c1/N=N/c1ccc(C(=O)O)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.75
FLT3 P36888 1/20 0.75
NTRK3 Q16288 1/20 0.75
KMT2A Q03164 8/20 0.53
POLB P06746 3/20 0.53
MAPT P10636 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
ATM Q13315 1/20 0.53
MEN1 O00255 7/20 0.53
RAB9A P51151 4/20 0.53
NPC1 O15118 4/20 0.53
IDE P14735 1/20 0.40
BLM P54132 1/20 0.40
TRPA1 O75762 1/20 0.40
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL17469796 0.91 KIT (0.79) KITFLT3NTRK3KMT2APOLB
SCHEMBL18999187 0.86 KIT (0.56) KITFLT3NTRK3KMT2APOLB
SCHEMBL17469649 0.86 KIT (1.00) KITFLT3NTRK3KMT2APOLB
SCHEMBL17469798 0.85 FLT3 (0.77) KITFLT3NTRK3KMT2APOLB
SCHEMBL17469655 0.84 KIT (0.79) KITFLT3NTRK3KMT2APOLB
SCHEMBL18999201 0.83 KIT (0.67) KITFLT3NTRK3KMT2APOLB
SCHEMBL17469644 0.81 FLT3 (0.78) KITFLT3NTRK3KMT2APOLB
SCHEMBL17469720 0.81 KIT (0.68) KITFLT3NTRK3KMT2AMAPT
SCHEMBL17469637 0.79 KIT (0.72) KITFLT3NTRK3KMT2APOLB
SCHEMBL17469667 0.79 KIT (0.59) KITFLT3NTRK3POLBMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20170174620-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.