SCHEMBL17469628

SCHEMBL17469628

COc1cc(C(=N)N)ccc1/N=N/Nc1ccccc1C#Cc1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.38
SLC16A3 O15427 4/20 0.36
PRSS1 P07477 4/20 0.34
PLAU P00749 3/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FFAR1 O14842 1/20 0.32
F10 P00742 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL21152726 0.91 ASIC3 (0.39) ASIC3SLC16A3PRSS1PLAUGRIN2D
SCHEMBL18999200 0.87 ASIC3 (0.38) ASIC3SLC16A3PRSS1PLAUF10
SCHEMBL17469633 0.82 SLC16A3 (0.37) ASIC3SLC16A3AAK1FFAR1
SCHEMBL17469730 0.81 TMPRSS2 (0.48) ASIC3SLC16A3PLAUHSD17B10F10
SCHEMBL21152853 0.79 SLC16A3 (0.38) SLC16A3AAK1FFAR1
SCHEMBL18999199 0.77 TMPRSS2 (0.33) ASIC3SLC16A3
SCHEMBL17469669 0.72 TMPRSS2 (0.52) ASIC3SLC16A3PRSS1HSD17B10F10
SCHEMBL17469634 0.67 GRM5 (0.36) SLC16A3
SCHEMBL17469728 0.67 TMPRSS2 (0.40) PRSS1PLAUGRIN1GRIN2ASIGMAR1
SCHEMBL17469657 0.67 TMPRSS2 (0.56) ASIC3PRSS1PLAU

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 ASIC3 4763/4885SLC16A3 4161/4885PRSS1 3985/4885

“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.