SCHEMBL61960

SCHEMBL61960

O=C(NC1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1)c1ccc2[nH]c3c(c2c1)C(OC(=O)C(F)(F)F)N(Cc1ccc(C(F)(F)F)cc1)CC3

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.43
KMT2A Q03164 3/20 0.42
NAMPT P43490 3/20 0.42
PRKAB2 O43741 4/20 0.41
PRKAG1 P54619 4/20 0.41
PRKAA2 P54646 4/20 0.41
PRKAA1 Q13131 4/20 0.41
PRKAG3 Q9UGI9 4/20 0.41
PRKAG2 Q9UGJ0 4/20 0.41
PRKAB1 Q9Y478 4/20 0.41
TRPV1 Q8NER1 2/20 0.41
SLC6A5 Q9Y345 1/20 0.40
DRD2 P14416 2/20 0.40
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FAAH O00519 1/20 0.39
HTR2A P28223 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
SCHEMBL62774 0.84 TGM2 (0.44) DRD4KMT2ASLC6A5
SCHEMBL61556 0.82 HDAC1 (0.54) DRD4KMT2ANAMPTPRKAB2PRKAG1
Trifluoroacetic Acid SCHEMBL61959 0.81 HDAC1 (0.51) DRD4KMT2ANAMPTPRKAB2PRKAG1
SCHEMBL62111 0.80 HDAC1 (0.57) DRD4KMT2ANAMPTPRKAB2PRKAG1
SCHEMBL63090 0.78 HDAC1 (0.49) DRD4KMT2ANAMPTPRKAB2PRKAG1
SCHEMBL62293 0.77 DRD4 (0.49) DRD4KMT2ASLC6A5DRD2
SCHEMBL62083 0.77 HDAC1 (0.55) DRD4KMT2ANAMPTTRPV1DRD2
SCHEMBL3806595 0.73 HDAC1 (0.57) DRD4SLC6A5DRD2HTR2A
SCHEMBL62750 0.73 HDAC1 (0.60) DRD4KMT2ASLC6A5DRD2HTR2A
SCHEMBL61826 0.72 DRD4 (0.61) DRD4KMT2ASLC6A5DRD2

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 DRD4 2946/4885KMT2A 188/4885NAMPT 390/4885
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 DRD4 2946/4885KMT2A 188/4885NAMPT 390/4885
US-20140045882-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 DRD4 2946/4885KMT2A 188/4885NAMPT 390/4885

“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.