SCHEMBL17214822

SCHEMBL17214822

O=C(O)CSc1nnc(-c2ccc(-c3cccc(OC(F)(F)F)c3)o2)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.47
PRMT1 Q99873 2/20 0.42
GRK6 P43250 3/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
DHODH Q02127 2/20 0.41
CTSA P10619 3/20 0.39
SLC13A5 Q86YT5 1/20 0.38
PRKDC P78527 1/20 0.38
MAPT P10636 1/20 0.38
MME P08473 1/20 0.37
XDH P47989 1/20 0.37

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
SCHEMBL18539836 0.91 PRMT1 (0.43) STK17BPRMT1FFAR1FFAR4DHODH
SCHEMBL17214751 0.87 GRK6 (0.53) GRK6MAPT
SCHEMBL17214802 0.85 MAPT (0.45) GRK6FFAR1CTSAMAPT
SCHEMBL17215002 0.85 GRK6 (0.41) GRK6FFAR4SLC13A5MAPT
SCHEMBL17214809 0.85 GRK6 (0.53) GRK6MAPT
SCHEMBL17214733 0.84 S1PR1 (0.41) STK17BFFAR1
SCHEMBL17214798 0.84 MAOB (0.43) GRK6FFAR1
SCHEMBL17214748 0.83 EIF4A1 (0.45) GRK6CTSASLC13A5MAPT
SCHEMBL17214826 0.83 DHODH (0.43) STK17BFFAR1FFAR4DHODHCTSA
SCHEMBL17214865 0.83 NR4A2 (0.47) GRK6FFAR1FFAR4MAPT

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 STK17B 477/4885PRMT1 2184/4885GRK6 1/4885

“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.