SCHEMBL18540516

SCHEMBL18540516

COc1ccc(O)c(-c2nnc(SCC(C)=O)[nH]2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 3/20 0.52
ALPL P05186 1/20 0.44
ALPG P10696 1/20 0.44
GCGR P47871 1/20 0.44
GUSB P08236 1/20 0.44
NPC1 O15118 6/20 0.42
RAB9A P51151 5/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
GAA P10253 2/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
ALOX15 P16050 2/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL14907755 0.91 GRK6 (0.64) GRK6ALPLALPGGCGRGUSB
SCHEMBL18540496 0.90 GRK6 (0.46) GRK6ALPLALPGGCGRGUSB
SCHEMBL18540551 0.88 GRK6 (0.52) GRK6ALPLALPGGCGRNPC1
SCHEMBL18540522 0.85 GRK6 (0.46) GRK6GUSBNPC1RAB9AMAPT
SCHEMBL18552408 0.84 GRK6 (0.47) GRK6ALPLALPGGCGRGUSB
SCHEMBL18540505 0.84 GRK6 (0.49) GRK6NPC1RAB9AMAPTMEN1
SCHEMBL18540503 0.83 GRK6 (0.48) GRK6MAPTMEN1KMT2AKDM4E
SCHEMBL14907794 0.82 GRK6 (0.63) GRK6ALPLALPGGCGRNPC1
SCHEMBL18540573 0.82 GRK6 (0.37) GRK6ALPLALPGGCGRMAPT
SCHEMBL17213107 0.82 GRK6 (0.56) GRK6ALPLALPGGCGRGUSB

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 1/4885ALPL 4630/4885ALPG 2502/4885

“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.