SCHEMBL17469790

SCHEMBL17469790

N=C(N)c1ccc(/N=N/c2c(N)ncc3ccccc23)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.44
FLT3 P36888 1/20 0.44
NTRK3 Q16288 1/20 0.44
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
L3MBTL1 Q9Y468 7/20 0.39
MAPT P10636 6/20 0.39
KMT2A Q03164 6/20 0.39
KDM4E B2RXH2 4/20 0.39
TDP1 Q9NUW8 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
LMNA P02545 2/20 0.39
OPRK1 P41145 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 2/20 0.39
CTRB1 P17538 1/20 0.34
NPC1 O15118 5/20 0.34
POLB P06746 3/20 0.34

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
SCHEMBL17469780 0.88 KIT (0.62) KITFLT3NTRK3CCNE2CCNE1
SCHEMBL17469647 0.77 KIT (0.70) KITFLT3NTRK3L3MBTL1MAPT
SCHEMBL17469793 0.77 KIT (0.51) KITFLT3NTRK3CCNE2CCNE1
SCHEMBL17469788 0.75 KIT (0.52) KITFLT3NTRK3CCNE2CCNE1
SCHEMBL17469789 0.75 KIT (0.52) KITFLT3NTRK3CCNE2CCNE1
SCHEMBL18999170 0.74 KIT (0.42) KITFLT3NTRK3CCNE2CCNE1
SCHEMBL19006336 0.73
SCHEMBL17469638 0.69 KIT (0.57) KITFLT3NTRK3CCNE2CCNE1
SCHEMBL21152053 0.68 KIT (0.44) KITFLT3NTRK3CCNE2CCNE1
SCHEMBL21152056 0.68 KIT (0.47) KITFLT3NTRK3CCNE2CCNE1

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 3 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
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.