SCHEMBL17214948

SCHEMBL17214948

CS(=O)(=O)c1cccc(-c2ccc(-c3nnc(SCc4nnn[nH]4)[nH]3)o2)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.32
PIP4K2C Q8TBX8 5/20 0.32
PDPK1 O15530 1/20 0.32
KCNH2 Q12809 1/20 0.31
KIF11 P52732 1/20 0.31
ALOX5 P09917 1/20 0.31
ATR Q13535 1/20 0.30
TBK1 Q9UHD2 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
SCD O00767 1/20 0.30
LMNA P02545 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
SCHEMBL17214950 0.90 GRK6 (0.40) GRK6NR1H2
SCHEMBL17214765 0.90 ALDH1A1 (0.41) LMNA
SCHEMBL17214945 0.86 NPY5R (0.35) KCNH2KIF11ATR
SCHEMBL18539972 0.85 GRK6 (0.35) GRK6LOXL2PIP4K2CKCNH2KIF11
SCHEMBL17214828 0.84 DAO (0.35) LMNA
SCHEMBL17214941 0.83 NR4A1 (0.34) GRK6
SCHEMBL17214785 0.83 GRK6 (0.38) GRK6KIF11ATR
SCHEMBL17214949 0.83 L3MBTL1 (0.36) LMNA
SCHEMBL17214784 0.81 RAB9A (0.44) GRK6
SCHEMBL17214940 0.81 ALDH1A1 (0.37) GRK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9902739-B2 Small molecule inhibitors of G protein coupled receptor 6 kinases polypeptides MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2018-02-27 US disclosed
US-9902739-B2 Small molecule inhibitors of G protein coupled receptor 6 kinases polypeptides MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2018-02-27 US disclosed
US-20170050979-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASES POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2017-02-23 US disclosed
US-20170050979-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASES POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2017-02-23 US disclosed
WO-2015164411-A9 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2016-05-26 WO disclosed
WO-2015164411-A2 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASES POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2015-10-29 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-20170050979-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASES POLYPEPTIDES GRK6, GRK2, GRK3 GRK6 1/4885LOXL2 3072/4885PIP4K2C 444/4885

“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.