SCHEMBL17214828

SCHEMBL17214828

c1ccc(-c2cccc(-c3ccc(-c4nnc(SCc5nnn[nH]5)[nH]4)o3)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32
HPGD P15428 3/20 0.31
MAPK1 P28482 2/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 2/20 0.31
HSD17B10 Q99714 2/20 0.30
GP6 Q9HCN6 1/20 0.30
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2E1 P05181 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C8 P10632 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
SCHEMBL17214949 0.92 L3MBTL1 (0.36) DAOL3MBTL1GAAGFERHPGD
SCHEMBL17214941 0.88 NR4A1 (0.34) L3MBTL1GAA
SCHEMBL17214984 0.86 NOTUM (0.32) DAOHPGDMAPK1ALDH1A1LMNA
SCHEMBL17214784 0.86 RAB9A (0.44) GAAHPGDMAPK1ALDH1A1KDM4E
SCHEMBL17214940 0.86 ALDH1A1 (0.37) HPGDALDH1A1MAPTMEN1TSHR
SCHEMBL17214785 0.84 GRK6 (0.38) L3MBTL1GAAHPGDALDH1A1MAPT
SCHEMBL17214948 0.84 GRK6 (0.37) LMNA
SCHEMBL17214765 0.84 ALDH1A1 (0.41) GAAGFERHPGDALDH1A1LMNA
SCHEMBL17214991 0.84 CD274 (0.33) HPGDTSHR
SCHEMBL17214942 0.83 CYP2A6 (0.41) LMNAHSD17B10SMN1; SMN2CYP1A2CYP2E1

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 4 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-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 DAO 3311/4885L3MBTL1 2891/4885GAA 3134/4885

“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.