SCHEMBL18540469

SCHEMBL18540469

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
MAPT P10636 8/20 0.34
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
ALDH1A1 P00352 6/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
AR P10275 1/20 0.33
HSD11B1 P28845 1/20 0.33
CD274 Q9NZQ7 1/20 0.32
GRK6 P43250 1/20 0.32
FASN P49327 1/20 0.32
TYMP P19971 1/20 0.32
HPGD P15428 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
MEN1 O00255 3/20 0.32

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
SCHEMBL17212979 0.93 TYMP (0.40) PRKAG1PRKAA1PRKAB1MAPTPLA2G1B
SCHEMBL18540468 0.90 SERPINE1 (0.34) MAPTPLA2G1BATG4BALDH1A1CYP1A2
SCHEMBL18540478 0.90 MAPT (0.34) MAPTPLA2G1BATG4BALDH1A1CYP1A2
SCHEMBL18540482 0.87 MEN1 (0.40) MAPTPLA2G1BATG4BALDH1A1CYP1A2
SCHEMBL18540480 0.87 MAPT (0.33) MAPTPLA2G1BATG4BALDH1A1CYP1A2
SCHEMBL18540484 0.87 AR (0.35) MAPTPLA2G1BATG4BALDH1A1CYP1A2
SCHEMBL18540466 0.85 PRKAB1 (0.38) PRKAG1PRKAA1PRKAB1MAPTALDH1A1
SCHEMBL18540579 0.85 MAPT (0.35) MAPTPLA2G1BATG4BALDH1A1CYP1A2
SCHEMBL18540486 0.85 PRKAG1 (0.37) PRKAG1PRKAA1PRKAB1ARHSD11B1
SCHEMBL18540472 0.84 MAPT (0.34) MAPTPLA2G1BATG4BALDH1A1CYP1A2

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

“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.