SCHEMBL63295

SCHEMBL63295

N#Cc1ccc(CN2CCC(NC(=O)c3ccc4[nH]c5c(c4c3)C(OC(=O)C(F)(F)F)N(S(=O)(=O)c3cccnc3)CC5)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 18/20 0.43
PRKAB2 O43741 12/20 0.43
PRKAG1 P54619 12/20 0.43
PRKAA1 Q13131 12/20 0.43
PRKAG3 Q9UGI9 12/20 0.43
PRKAG2 Q9UGJ0 12/20 0.43
PRKAB1 Q9Y478 12/20 0.43
SLC6A5 Q9Y345 1/20 0.42
DRD4 P21917 1/20 0.40
CYP3A4 P08684 1/20 0.39

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
SCHEMBL63391 0.93 PRKAA2 (0.44) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
Trifluoroacetic Acid SCHEMBL63294 0.83 PRKAA2 (0.48) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL62293 0.82 DRD4 (0.49) SLC6A5DRD4
SCHEMBL61866 0.82 PRKAA2 (0.51) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
Trifluoroacetic Acid SCHEMBL63390 0.74 MAPT (0.54) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL61301 0.73 HDAC1 (0.48) SLC6A5DRD4
SCHEMBL62208 0.73 MAPT (0.57) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL62186 0.73 MAPT (0.54) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL15468090 0.72 SLC6A5 (0.43) SLC6A5DRD4
SCHEMBL62395 0.72 HDAC1 (0.54) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231666-B1 Carboxamide, sulfonamide and amine compounds for metabolic disorders RIGEL PHARMACEUTICALS INC (US) 2015-07-29 EP disclosed
US-8895578-B2 Carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2014-11-25 US disclosed
US-20140045882-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2014-02-13 US disclosed
US-8557822-B2 Carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2013-10-15 US disclosed
US-20120108606-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-8129390-B2 Carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-03-06 US disclosed
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-06-25 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 (3 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-20120108606-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 PRKAA2 3/4885PRKAB2 5/4885PRKAG1 7/4885
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 PRKAA2 3/4885PRKAB2 5/4885PRKAG1 7/4885
US-20140045882-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 PRKAA2 3/4885PRKAB2 5/4885PRKAG1 7/4885

“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.