SCHEMBL18540503

SCHEMBL18540503

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 4/20 0.48
THRB P10828 1/20 0.40
MAPT P10636 4/20 0.38
TSHR P16473 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 3/20 0.38
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
IDO1 P14902 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
PRSS1 P07477 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 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
SCHEMBL18540522 0.90 GRK6 (0.46) GRK6MAPTALDH1A1KMT2AKDM4E
SCHEMBL14907893 0.89 GRK6 (0.61) GRK6THRBMAPTTSHRALDH1A1
SCHEMBL18540505 0.86 GRK6 (0.49) GRK6THRBMAPTALDH1A1MAPK1
SCHEMBL17213012 0.85 GRK6 (0.49) GRK6THRBMAPTTSHRALDH1A1
SCHEMBL18540573 0.84 GRK6 (0.37) GRK6MAPTALDH1A1MAPK1KMT2A
SCHEMBL18540530 0.83 GRK6 (0.45) GRK6THRBMAPTALDH1A1KMT2A
SCHEMBL18540516 0.83 GRK6 (0.52) GRK6MAPTTSHRLMNAMEN1
SCHEMBL18540523 0.80 GRK6 (0.48) GRK6THRBMAPTTSHRALDH1A1
SCHEMBL14907753 0.78 GRK6 (0.60) GRK6ALDH1A1KMT2AHSD17B10KDM4E
SCHEMBL18540520 0.78 GRK6 (0.45) GRK6MAPTALDH1A1MAPK1PKM

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 671/4885MAPT 4031/4885

“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.