SCHEMBL18540523

SCHEMBL18540523

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 2/20 0.48
THRB P10828 2/20 0.43
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
GAA P10253 2/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
KMT2A Q03164 4/20 0.38
HTT P42858 3/20 0.38
MEN1 O00255 3/20 0.38
RECQL P46063 2/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL18540505 0.91 GRK6 (0.49) GRK6THRBALDH1A1POLBGAA
SCHEMBL14907725 0.90 GRK6 (0.60) GRK6THRBALDH1A1POLBGAA
SCHEMBL18540530 0.88 GRK6 (0.45) GRK6THRBALDH1A1POLBGAA
SCHEMBL18540522 0.82 GRK6 (0.46) GRK6ALDH1A1POLBGAANPC1
SCHEMBL14907728 0.81 GRK6 (0.61) GRK6THRBALDH1A1POLBGAA
SCHEMBL18540503 0.80 GRK6 (0.48) GRK6THRBALDH1A1MAPTKMT2A
SCHEMBL16171163 0.79 GRK6 (0.48) GRK6THRBALDH1A1POLBNPC1
SCHEMBL18540573 0.79 GRK6 (0.37) GRK6ALDH1A1POLBGAAMAPT
SCHEMBL18540516 0.78 GRK6 (0.52) GRK6GAANPC1RAB9AMAPT
SCHEMBL18540520 0.77 GRK6 (0.45) GRK6ALDH1A1POLBGAANPC1

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 1/4885THRB 671/4885ALDH1A1 4745/4885

“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.