SCHEMBL16321289

SCHEMBL16321289

N#Cc1ccc(CN2CCC(NC(=O)c3cccc(OC4CCN(c5ccc(C#N)cc5)CC4)c3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 11/20 0.60
PRKAB2 O43741 4/20 0.59
PRKAG1 P54619 4/20 0.59
PRKAA1 Q13131 4/20 0.59
PRKAG3 Q9UGI9 4/20 0.59
PRKAG2 Q9UGJ0 4/20 0.59
PRKAB1 Q9Y478 4/20 0.59
CYP3A4 P08684 1/20 0.58
KMT2A Q03164 1/20 0.54
MCHR1 Q99705 2/20 0.54
OPRK1 P41145 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
CCR3 P51677 1/20 0.51

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
SCHEMBL2390946 0.97 KMT2A (0.60) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL15171723 0.97 PRKAA2 (0.60) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL15171508 0.95 PRKAA2 (0.65) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL2386381 0.94 PRKAA2 (0.56) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL2389604 0.92 KMT2A (0.65) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL15171728 0.90 CCR3 (0.62) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL15171521 0.88 DRD4 (0.62) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL16341855 0.88 PRKAA2 (0.61) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL12226771 0.88 OPRK1 (0.64) KMT2AMCHR1OPRK1CCR3
SCHEMBL15171735 0.87 PRKAA2 (0.59) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409884-B2 5- or 6-substituted benzofuran-2-carboxamide compounds and methods for using them RIGEL PHARMACEUTICALS, INC. (US) 2016-08-09 US disclosed
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them RIGEL PHARMACEUTICALS, INC. (US) 2014-12-25 US disclosed
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them RIGEL PHARMACEUTICALS, INC. (US) 2014-12-25 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 (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-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them CPT2, SHMT2, CS PRKAA2 356/4885PRKAB2 590/4885PRKAG1 704/4885

“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.