SCHEMBL17469633

SCHEMBL17469633

COc1cc(/N=N/Nc2ccccc2C#Cc2ccc(F)cc2)ccc1C(=N)N

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 5/20 0.37
AAK1 Q2M2I8 1/20 0.34
KLK1 P06870 1/20 0.33
KLK5 Q9Y337 1/20 0.33
FFAR1 O14842 1/20 0.33
MRGPRX1 Q96LB2 1/20 0.32
KLKB1 P03952 1/20 0.31
MEN1 O00255 2/20 0.30
MAPT P10636 2/20 0.30
KMT2A Q03164 2/20 0.30
HTT P42858 1/20 0.30
ASIC3 Q9UHC3 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PAX8 Q06710 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
SCHEMBL18999199 0.87 TMPRSS2 (0.33) SLC16A3ASIC3
SCHEMBL21152853 0.85 SLC16A3 (0.38) SLC16A3AAK1FFAR1
SCHEMBL17469628 0.82 ASIC3 (0.38) SLC16A3AAK1FFAR1ASIC3
SCHEMBL17469730 0.81 TMPRSS2 (0.48) SLC16A3MEN1MAPTKMT2AASIC3
SCHEMBL18999200 0.74 ASIC3 (0.38) SLC16A3KLK1KLK5ASIC3
SCHEMBL17469632 0.73 SLC16A3 (0.40) SLC16A3MEN1MAPTKMT2ATSHR
SCHEMBL21152726 0.73 ASIC3 (0.39) SLC16A3MRGPRX1ASIC3
SCHEMBL17469669 0.72 TMPRSS2 (0.52) SLC16A3MEN1MAPTKMT2AASIC3
SCHEMBL17469627 0.70 CHRM2 (0.34) SLC16A3
SCHEMBL17469629 0.68 SLC16A3 (0.43) SLC16A3MEN1MAPTKMT2AMAPK1

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 SLC16A3 4161/4885AAK1 4258/4885KLK1 2866/4885

“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.