SCHEMBL18540522

SCHEMBL18540522

CC(=O)CSc1nnc(-c2cc(O)ccc2O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 5/20 0.46
AMY1A P0DUB6 1/20 0.39
GAA P10253 4/20 0.38
GUSB P08236 2/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
ADORA2B P29275 1/20 0.37
POLB P06746 3/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.36
HDAC6 Q9UBN7 2/20 0.36
ALDH1A1 P00352 2/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
STAT1 P42224 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
SCHEMBL18540530 0.91 GRK6 (0.45) GRK6AMY1AGAAMGAMSI
SCHEMBL18540503 0.90 GRK6 (0.48) GRK6MAPTKMT2AALDH1A1KDM4E
SCHEMBL18540505 0.88 GRK6 (0.49) GRK6GAAPOLBNPC1MAPT
SCHEMBL14907753 0.88 GRK6 (0.60) GRK6AMY1AGUSBRAB9AKMT2A
SCHEMBL18540573 0.86 GRK6 (0.37) GRK6GAAPOLBMAPTKMT2A
SCHEMBL18540516 0.85 GRK6 (0.52) GRK6GAAGUSBMGAMSI
SCHEMBL18540523 0.82 GRK6 (0.48) GRK6GAAPOLBNPC1MAPT
SCHEMBL18540520 0.80 GRK6 (0.45) GRK6GAAGUSBMGAMSI
SCHEMBL18540496 0.79 GRK6 (0.46) GRK6GAAGUSBMGAMSI
SCHEMBL16171114 0.79 GRK6 (0.45) GRK6GAAPOLBKMT2AHDAC6

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 1/4885AMY1A 4712/4885GAA 2998/4885

“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.