SCHEMBL16190087

SCHEMBL16190087

CC(=O)N1CCN(C(=O)c2ccc(C(=O)NC3CCN(Cc4ccc(C#N)cc4)CC3)nc2)CC1

nearest known ligand 0.91

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 20/20 0.91
PRKAB2 O43741 16/20 0.84
PRKAG1 P54619 16/20 0.84
PRKAA1 Q13131 16/20 0.84
PRKAG3 Q9UGI9 16/20 0.84
PRKAG2 Q9UGJ0 16/20 0.84
PRKAB1 Q9Y478 16/20 0.84
CYP3A4 P08684 2/20 0.76

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
SCHEMBL518208 0.95 PRKAA2 (1.00) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518922 0.94 PRKAA2 (0.98) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL12199998 0.92 PRKAA2 (0.90) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL18013666 0.91 PRKAA2 (0.93) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518421 0.91 PRKAA2 (1.00) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518940 0.91 PRKAA2 (1.00) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518544 0.91 PRKAA2 (1.00) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL517980 0.90 PRKAA2 (0.90) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518515 0.90 PRKAA2 (0.90) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518212 0.90 PRKAA2 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266856-B2 AMPK—activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2016-02-23 US disclosed
US-20140315884-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2014-10-23 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-20140315884-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME PRKAG1, PRKAG2, PRKAB1 PRKAA2 7/4885PRKAB2 5/4885PRKAG1 1/4885

“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.