SCHEMBL68693

SCHEMBL68693

[C-]#[N+]c1ccc(S(=O)(=O)N2CCc3[nH]c4ccc(C(=O)NC5CCN(Cc6ccc(C#N)cc6)CC5)cc4c3C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
PRKAA2 P54646 14/20 0.47
PRKAB2 O43741 10/20 0.47
PRKAG1 P54619 10/20 0.47
PRKAA1 Q13131 10/20 0.47
PRKAG3 Q9UGI9 10/20 0.47
PRKAG2 Q9UGJ0 10/20 0.47
PRKAB1 Q9Y478 10/20 0.47
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL62208 0.94 MAPT (0.57) MAPTPRKAA2PRKAB2PRKAG1PRKAA1
Trifluoroacetic Acid SCHEMBL63390 0.90 MAPT (0.54) MAPTPRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL62186 0.89 MAPT (0.54) MAPTPRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL61866 0.87 PRKAA2 (0.51) MAPTPRKAA2PRKAB2PRKAG1PRKAA1
Trifluoroacetic Acid SCHEMBL63294 0.84 PRKAA2 (0.48) MAPTPRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL61592 0.83 HDAC1 (0.49) MAPTPRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL60899 0.81 AKR1B1 (0.56) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL61772 0.81 HDAC1 (0.61) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL61254 0.81 HDAC1 (0.52) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL61682 0.80 DRD4 (0.53) LMNASMN1; SMN2

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-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 (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-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 MAPT 2174/4885PRKAA2 3/4885PRKAB2 5/4885

“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.