SCHEMBL1035830

SCHEMBL1035830

O=C(NC1CCN(Cc2ccncc2)CC1)c1cnc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)cn1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 2/20 0.49
TEAD1 P28347 1/20 0.47
PRKAA2 P54646 9/20 0.46
CHRM2 P08172 1/20 0.45
SSTR5 P35346 1/20 0.45
DRD4 P21917 2/20 0.45
PRKAB2 O43741 3/20 0.44
PRKAG1 P54619 3/20 0.44
PRKAA1 Q13131 3/20 0.44
PRKAG3 Q9UGI9 3/20 0.44
PRKAG2 Q9UGJ0 3/20 0.44
PRKAB1 Q9Y478 3/20 0.44
SIGMAR1 Q99720 2/20 0.44
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
CYP3A4 P08684 1/20 0.43
UTS2R Q9UKP6 1/20 0.43

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
SCHEMBL13666770 0.91 TEAD1 (0.46) SLC6A5TEAD1PRKAA2CHRM2SSTR5
SCHEMBL12199870 0.90 PRKAA2 (0.48) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL1035998 0.90 PRKAA2 (0.59) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL648104 0.89 SLC6A5 (0.53) SLC6A5TEAD1PRKAA2DRD4PRKAB2
SCHEMBL651761 0.89 SLC6A5 (0.55) SLC6A5TEAD1PRKAA2SSTR5DRD4
SCHEMBL647173 0.87 PRKAA2 (0.52) SLC6A5TEAD1PRKAA2CHRM2DRD4
SCHEMBL648255 0.85 SLC6A5 (0.49) SLC6A5TEAD1PRKAA2CHRM2SSTR5
SCHEMBL647123 0.85 DRD4 (0.53) SLC6A5TEAD1PRKAA2CHRM2SSTR5
SCHEMBL649757 0.85 PRKAA2 (0.49) SLC6A5TEAD1PRKAA2DRD4PRKAB2
SCHEMBL650342 0.85 PRKAA2 (0.49) SLC6A5TEAD1PRKAA2DRD4PRKAB2

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353111-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2016-05-31 US claimed
US-20160122321-A1 Carboxamide Compounds and Methods for Using the Same MIDCAP FINANCIAL TRUST 2016-05-05 US claimed
US-8314107-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-11-20 US claimed
JP-2011527665-A 2011-11-04 JP claimed
EP-2276761-A1 CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Rigel Pharmaceuticals, Inc. (US) 2011-01-26 EP claimed
US-20090275609-A1 Carboxamide Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-11-05 US claimed
WO-2009132136-A1 CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS RIGEL PHARMACEUTICALS, INC. (US) 2009-10-29 WO claimed
CN-112079769-A Carboxamide compounds for the treatment of metabolic disorders 里格尔药品股份有限公司 2020-12-15 CN disclosed
CN-106928211-B Carboxamide compounds for the treatment of metabolic disorders 里格尔药品股份有限公司 2020-09-08 CN disclosed
US-9511058-B2 Methods for using carboxamide, sulfonamide and amine compounds RIGEL PHARMACEUTICALS INC. (US) 2016-12-06 US disclosed
US-9511058-B2 Methods for using carboxamide, sulfonamide and amine compounds RIGEL PHARMACEUTICALS INC. (US) 2016-12-06 US disclosed
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-9353111-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
US-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2011-10-06 US disclosed
US-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2011-10-06 US disclosed
EP-2276761-A1 CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Rigel Pharmaceuticals, Inc. (US) 2011-01-26 EP disclosed
US-20090275609-A1 Carboxamide Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-11-05 US disclosed
US-20090275609-A1 Carboxamide Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-11-05 US disclosed
US-20090275609-A1 Carboxamide Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-11-05 US disclosed
WO-2009132136-A1 CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS RIGEL PHARMACEUTICALS, INC. (US) 2009-10-29 WO 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-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds CS, SHMT2, GOT2 SLC6A5 3833/4885TEAD1 3828/4885PRKAA2 413/4885
US-20160122321-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 SLC6A5 4798/4885TEAD1 4104/4885PRKAA2 3/4885
US-20090275609-A1 Carboxamide Compounds and Methods for Using The Same PC, AK2, PRKAA2 SLC6A5 4798/4885TEAD1 4104/4885PRKAA2 3/4885

“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.