SCHEMBL1036726

SCHEMBL1036726

N#Cc1ccc(CN2CCc3ccc(C(=O)NC4CCN(Cc5cccnc5)CC4)cc3C2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.59
PRKAA2 P54646 12/20 0.54
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CXCR4 P61073 1/20 0.53
SLC6A5 Q9Y345 1/20 0.53
PRKAB2 O43741 6/20 0.51
PRKAG1 P54619 6/20 0.51
PRKAA1 Q13131 6/20 0.51
PRKAG3 Q9UGI9 6/20 0.51
PRKAG2 Q9UGJ0 6/20 0.51
PRKAB1 Q9Y478 6/20 0.51
SMO Q99835 1/20 0.49
USP2 O75604 1/20 0.49
TSHR P16473 1/20 0.49
SIGMAR1 Q99720 1/20 0.49

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
SCHEMBL1037177 0.91 PRKAA2 (0.58) DRD4PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL1033728 0.89 DRD4 (0.62) DRD4PRKAA2LMNASMN1; SMN2CXCR4
SCHEMBL12227417 0.87 PRKAA2 (0.54) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL1037205 0.87 PRKAA2 (0.59) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL1032926 0.84 DRD4 (0.60) DRD4PRKAA2SLC6A5PRKAB2PRKAG1
SCHEMBL62237 0.78 DRD4 (0.76) DRD4PRKAA2LMNASMN1; SMN2CXCR4
SCHEMBL2508098 0.78 TMEM97 (0.71) DRD4PRKAA2LMNASMN1; SMN2PRKAB2
SCHEMBL63417 0.77 PRKAA2 (0.69) DRD4PRKAA2LMNASMN1; SMN2PRKAB2
SCHEMBL13630836 0.76 LTA4H (0.56) DRD4PRKAA2SMN1; SMN2
Hydrochloric Acid SCHEMBL1075307 0.76 LTA4H (0.55) DRD4PRKAA2SMN1; 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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255085-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2016-02-09 US claimed
US-20150232451-A1 Carboxamide Compounds and Methods for Using the Same MIDCAP FINANCIAL TRUST 2015-08-20 US claimed
EP-2276761-B1 CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS RIGEL PHARMACEUTICALS INC (US) 2015-07-29 EP 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
WO-2011123681-A1 METHODS FOR USING CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2011-10-06 WO 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
WO-2009132136-A1 CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS RIGEL PHARMACEUTICALS, INC. (US) 2009-10-29 WO 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 (2 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-20150232451-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 DRD4 2543/4885PRKAA2 3/4885LMNA 2157/4885
US-20090275609-A1 Carboxamide Compounds and Methods for Using The Same PC, AK2, PRKAA2 DRD4 2543/4885PRKAA2 3/4885LMNA 2157/4885

“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.