SCHEMBL6408622

SCHEMBL6408622

O=C(O)CSc1nnc(-c2ccc(OC(F)(F)F)cc2)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 3/20 0.62
MAPT P10636 2/20 0.40
CHEK2 O96017 1/20 0.40
GLA P06280 1/20 0.40
MAPK1 P28482 1/20 0.40
STK17B O94768 1/20 0.39
SCN10A Q9Y5Y9 2/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
SUCNR1 Q9BXA5 1/20 0.38
AURKA O14965 1/20 0.38
TPX2 Q9ULW0 1/20 0.38
PDE2A O00408 2/20 0.37
SCN9A Q15858 1/20 0.37
SHMT2 P34897 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL16171132 0.89 GRK6 (0.49) GRK6MAPTCHEK2SCN10ATP53
SCHEMBL21763932 0.83 TDP1 (0.46) GRK6MAPTTP53POLB
SCHEMBL6411081 0.82 SCN9A (0.47) GRK6CHEK2POLBAURKATPX2
SCHEMBL14907754 0.80 GRK6 (0.56) GRK6KDM4E
SCHEMBL11887741 0.79 TYMP (0.57) GRK6MAPTKDM4E
SCHEMBL19425608 0.79 TYMP (0.57) GRK6MAPTSTK17BTP53POLB
SCHEMBL6404365 0.79 GRK6 (0.40) GRK6CHEK2SCN10ASCN9A
SCHEMBL14907798 0.79 GRK6 (0.61) GRK6MAPTKDM4E
SCHEMBL6411809 0.78 GRK6 (0.40) GRK6SCN10ASCN9A
SCHEMBL17214822 0.78 STK17B (0.47) GRK6MAPTSTK17B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10252984-B2 Inhibiting G protein coupled receptor 6 kinase polypeptides MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2019-04-09 US disclosed
US-20140309185-A1 Inhibiting G Protein Coupled Receptor 6 Kinase Polypeptides MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2014-10-16 US disclosed
US-20140309185-A1 Inhibiting G Protein Coupled Receptor 6 Kinase Polypeptides MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2014-10-16 US disclosed
WO-2013063458-A2 INHIBITING G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2013-05-02 WO disclosed
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 US 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 (3 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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof ABCG2, ATP5ME, DNTT GRK6 3937/4885MAPT 2111/4885CHEK2 1298/4885
US-20140309185-A1 Inhibiting G Protein Coupled Receptor 6 Kinase Polypeptides GRK6, GRK2, GRK3 GRK6 1/4885MAPT 4210/4885CHEK2 565/4885
US-10252984-B2 Inhibiting G protein coupled receptor 6 kinase polypeptides GRK6, GRK2, GRK3 GRK6 1/4885MAPT 4210/4885CHEK2 565/4885

“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.