SCHEMBL18540466

SCHEMBL18540466

CC(=O)CSc1nnc(-c2cc(-c3ccc4c(ccn4C)c3)c(C)c([N+](=O)[O-])c2)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB1 Q9Y478 3/20 0.38
PRKAG1 P54619 2/20 0.38
PRKAA1 Q13131 2/20 0.38
GRK6 P43250 5/20 0.35
AR P10275 1/20 0.35
CCNC P24863 3/20 0.35
CDK8 P49336 3/20 0.35
HSD11B1 P28845 1/20 0.33
PRKAA2 P54646 2/20 0.33
ALDH1A1 P00352 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
PRKAG2 Q9UGJ0 1/20 0.30
MITF O75030 1/20 0.30
OPRM1 P35372 1/20 0.30

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
SCHEMBL17213066 0.93 GRK6 (0.42) PRKAB1PRKAG1PRKAA1GRK6AR
SCHEMBL18540469 0.85 PRKAG1 (0.36) PRKAB1PRKAG1PRKAA1GRK6AR
SCHEMBL17212979 0.78 TYMP (0.40) PRKAB1PRKAG1PRKAA1GRK6CCNC
SCHEMBL18540477 0.78 GRK6 (0.36) GRK6ALDH1A1MEN1MAPTMAPK1
SCHEMBL18540486 0.77 PRKAG1 (0.37) PRKAB1PRKAG1PRKAA1ARCCNC
SCHEMBL18539843 0.77 PRKAG1 (0.39) PRKAB1PRKAG1PRKAA1ARCCNC
SCHEMBL18540480 0.76 MAPT (0.33) GRK6ALDH1A1MEN1MAPTKMT2A
SCHEMBL18540468 0.76 SERPINE1 (0.34) GRK6ALDH1A1MEN1MAPTKMT2A
SCHEMBL18540478 0.75 MAPT (0.34) GRK6ALDH1A1MEN1MAPTKMT2A
SCHEMBL18540594 0.75 GRK6 (0.52) GRK6ALDH1A1MAPTMAPK1

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 PRKAB1 507/4885PRKAG1 320/4885PRKAA1 387/4885

“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.