SCHEMBL18540530

SCHEMBL18540530

CC(=O)CSc1nnc(-c2ccc(O)cc2O)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 4/20 0.45
GAA P10253 3/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.37
STAT1 P42224 1/20 0.37
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
THRB P10828 2/20 0.36
AMY1A P0DUB6 1/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL18540522 0.91 GRK6 (0.46) GRK6GAAPOLBMAPTNPC1
SCHEMBL18540523 0.88 GRK6 (0.48) GRK6GAAPOLBMAPTNPC1
SCHEMBL12180110 0.88 GRK6 (0.59) GRK6GAAPOLBMAPTNPC1
SCHEMBL18540503 0.83 GRK6 (0.48) GRK6MAPTKMT2AALDH1A1KDM4E
SCHEMBL18540597 0.82 GRK6 (0.43) GRK6GAAPOLBMAPTNPC1
SCHEMBL18540505 0.82 GRK6 (0.49) GRK6GAAPOLBMAPTNPC1
SCHEMBL18540573 0.80 GRK6 (0.37) GRK6GAAPOLBMAPTKMT2A
SCHEMBL18540532 0.79 GRK6 (0.42) GRK6GAAPOLBNPC1RAB9A
SCHEMBL18540516 0.79 GRK6 (0.52) GRK6GAAMAPTNPC1RAB9A
SCHEMBL14907753 0.78 GRK6 (0.60) GRK6RAB9AKMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170050939-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2017-02-23 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 (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-20170050939-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES GRK6, GRK2, GRK3 GRK6 1/4885GAA 2998/4885POLB 4006/4885

“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.