SCHEMBL17214865

SCHEMBL17214865

O=C(O)CSc1nnc(-c2ccc(-c3cccc(OCc4cccc(C(F)(F)F)c4)c3)o2)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.47
MRGPRX4 Q96LA9 1/20 0.45
MAOB P27338 5/20 0.44
FFAR1 O14842 3/20 0.43
FFAR4 Q5NUL3 1/20 0.43
MAOA P21397 1/20 0.42
GRK6 P43250 1/20 0.42
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ANO1 Q5XXA6 2/20 0.41
SLC26A3 P40879 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL18539917 0.93 MAOB (0.48) NR4A2MRGPRX4MAOBFFAR1FFAR4
SCHEMBL17214798 0.92 MAOB (0.43) NR4A2MRGPRX4MAOBFFAR1GRK6
SCHEMBL17214826 0.90 DHODH (0.43) NR4A2MRGPRX4FFAR1FFAR4MAPT
SCHEMBL17214809 0.88 GRK6 (0.53) GRK6MAPTCYP1A2CYP2C19
SCHEMBL17214713 0.87 MRGPRX4 (0.42) NR4A2MRGPRX4FFAR1GRK6
SCHEMBL18551781 0.87 MAOA (0.39) NR4A2MRGPRX4MAOBFFAR1MAOA
SCHEMBL17214824 0.87 NR4A2 (0.44) NR4A2MAOBFFAR1MAOA
SCHEMBL17214810 0.87 S1PR1 (0.40) FFAR1MAPTNR1H2NR1H3
SCHEMBL17214867 0.85 NPC1 (0.40) MRGPRX4MAOBFFAR1MAOAGRK6
SCHEMBL17214710 0.85 FFAR1 (0.44) MAOBFFAR1FFAR4MAOAGRK6

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 NR4A2 1541/4885MRGPRX4 187/4885MAOB 3834/4885

“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.