SCHEMBL18540486

SCHEMBL18540486

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
S1PR1 P21453 1/20 0.34
HSD11B1 P28845 1/20 0.33
AR P10275 1/20 0.33
ELANE P08246 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
FASN P49327 1/20 0.32
MDM2 Q00987 1/20 0.32
CHRNA7 P36544 2/20 0.32
CCNC P24863 2/20 0.32
CDK8 P49336 2/20 0.32
FAAH O00519 1/20 0.32
LGMN Q99538 1/20 0.31
GRM2 Q14416 1/20 0.31
ICMT O60725 1/20 0.31

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
SCHEMBL17213045 0.93 GRK6 (0.39) PRKAG1PRKAA1PRKAB1S1PR1HSD11B1
SCHEMBL18540469 0.85 PRKAG1 (0.36) PRKAG1PRKAA1PRKAB1HSD11B1AR
SCHEMBL18539843 0.79 PRKAG1 (0.39) PRKAG1PRKAA1PRKAB1HSD11B1AR
SCHEMBL21763970 0.78 PRKAG1 (0.36) PRKAG1PRKAA1PRKAB1HSD11B1AR
SCHEMBL17212979 0.78 TYMP (0.40) PRKAG1PRKAA1PRKAB1HSD11B1CCNC
SCHEMBL18540466 0.77 PRKAB1 (0.38) PRKAG1PRKAA1PRKAB1HSD11B1AR
SCHEMBL18540478 0.76 MAPT (0.34) FAAH
SCHEMBL18540506 0.75 GRK6 (0.50)
SCHEMBL18540468 0.75 SERPINE1 (0.34)
SCHEMBL18552337 0.74 CTSA (0.38) PRKAG1PRKAB1HSD11B1

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.